 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer01_STD_M11_augccpVDZ.in
 Output=11_L-cysteine_conformer01_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-4182.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      4183.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer01_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:53:48 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer01_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.038368000000      0.050355000000      0.973144000000
  S                                                -1.995843000000     -0.295319000000     -0.543653000000
  C                                                 0.363508000000      0.594497000000      0.695573000000
  N                                                 0.423962000000      1.801216000000     -0.127846000000
  C                                                 1.257054000000     -0.497668000000      0.075532000000
  O                                                 1.175185000000     -1.658561000000      0.374863000000
  O                                                 2.147652000000     -0.028506000000     -0.799987000000
  H                                                 0.830827000000      0.823589000000      1.659371000000
  H                                                -0.978162000000     -0.853759000000      1.573271000000
  H                                                -1.621949000000      0.791783000000      1.518928000000
  H                                                 1.947126000000      0.931990000000     -0.883214000000
  H                                                -0.300279000000      1.767801000000     -0.840577000000
  H                                                 0.299163000000      2.642352000000      0.418972000000
  H                                                -1.286825000000     -1.373729000000     -0.917887000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:53:49 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.038368    0.050355    0.973144
      2         16           0       -1.995843   -0.295319   -0.543653
      3          6           0        0.363508    0.594497    0.695573
      4          7           0        0.423962    1.801216   -0.127846
      5          6           0        1.257054   -0.497668    0.075532
      6          8           0        1.175185   -1.658561    0.374863
      7          8           0        2.147652   -0.028506   -0.799987
      8          1           0        0.830827    0.823589    1.659371
      9          1           0       -0.978162   -0.853759    1.573271
     10          1           0       -1.621949    0.791783    1.518928
     11          1           0        1.947126    0.931990   -0.883214
     12          1           0       -0.300279    1.767801   -0.840577
     13          1           0        0.299163    2.642352    0.418972
     14          1           0       -1.286825   -1.373729   -0.917887
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.826724   0.000000
     3  C    1.529180   2.809625   0.000000
     4  N    2.533003   3.228593   1.462137   0.000000
     5  C    2.524876   3.317480   1.541330   2.453624   0.000000
     6  O    2.859747   3.571767   2.416184   3.575907   1.201655
     7  O    3.647045   4.159982   2.409980   2.602069   1.334096
     8  H    2.136045   3.754375   1.095343   2.077363   2.106166
     9  H    1.086830   2.414311   2.160527   3.450890   2.714077
    10  H    1.090029   2.361319   2.158443   2.813640   3.469111
    11  H    3.624434   4.143500   2.261485   1.909493   1.854539
    12  H    2.604607   2.686925   2.043774   1.016675   2.897739
    13  H    2.968930   3.850144   2.067452   1.010987   3.300793
    14  H    2.380282   1.343773   3.033276   3.692050   2.868045
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.232273   0.000000
     8  H    2.815957   2.916939   0.000000
     9  H    2.592449   4.010500   2.468471   0.000000
    10  H    3.890634   4.501126   2.456999   1.767830   0.000000
    11  H    2.981544   0.984728   2.778959   4.216696   4.304444
    12  H    3.923550   3.036566   2.901840   3.627501   2.875185
    13  H    4.389443   3.469331   2.264764   3.897019   2.885339
    14  H    2.795322   3.690414   3.994360   2.563496   3.277166
                   11         12         13         14
    11  H    0.000000
    12  H    2.398172   0.000000
    13  H    2.708654   1.646400   0.000000
    14  H    3.971899   3.293700   4.520117   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.038368    0.050355    0.973144
      2         16           0       -1.995843   -0.295319   -0.543653
      3          6           0        0.363508    0.594497    0.695573
      4          7           0        0.423962    1.801216   -0.127846
      5          6           0        1.257054   -0.497668    0.075532
      6          8           0        1.175185   -1.658561    0.374863
      7          8           0        2.147652   -0.028506   -0.799987
      8          1           0        0.830827    0.823589    1.659371
      9          1           0       -0.978162   -0.853759    1.573271
     10          1           0       -1.621949    0.791783    1.518928
     11          1           0        1.947126    0.931990   -0.883214
     12          1           0       -0.300279    1.767801   -0.840577
     13          1           0        0.299162    2.642352    0.418972
     14          1           0       -1.286825   -1.373729   -0.917887
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.0883872           1.5855371           1.3175751
 Leave Link  202 at Thu Aug 12 20:53:49 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       385.8531241237 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 20:53:51 2021, MaxMem=  5368709120 cpu:              17.1 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.98D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 20:53:52 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:53:52 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer01_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:53:53 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368587670 LenY=  5368528665
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -721.813659962208    
 DIIS: error= 7.63D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -721.813659962208     IErMin= 1 ErrMin= 7.63D-03
 ErrMax= 7.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-02 BMatP= 1.38D-02
 IDIUse=3 WtCom= 9.24D-01 WtEn= 7.63D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.427 Goal=   None    Shift=    0.000
 GapD=    0.427 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.98D-03 MaxDP=4.21D-01              OVMax= 1.71D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.86D-03    CP:  9.46D-01
 E= -721.825305415306     Delta-E=       -0.011645453098 Rises=F Damp=F
 DIIS: error= 9.36D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -721.825305415306     IErMin= 2 ErrMin= 9.36D-04
 ErrMax= 9.36D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.27D-04 BMatP= 1.38D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.36D-03
 Coeff-Com:  0.700D-02 0.993D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.693D-02 0.993D+00
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=1.50D-03 MaxDP=5.55D-02 DE=-1.16D-02 OVMax= 7.91D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.02D-03    CP:  9.44D-01  1.12D+00
 E= -721.825668760905     Delta-E=       -0.000363345599 Rises=F Damp=F
 DIIS: error= 9.37D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -721.825668760905     IErMin= 2 ErrMin= 9.36D-04
 ErrMax= 9.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.64D-04 BMatP= 6.27D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.37D-03
 Coeff-Com: -0.442D-01 0.502D+00 0.543D+00
 Coeff-En:   0.000D+00 0.191D+00 0.809D+00
 Coeff:     -0.438D-01 0.499D+00 0.545D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=2.63D-04 MaxDP=1.17D-02 DE=-3.63D-04 OVMax= 4.26D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.72D-04    CP:  9.43D-01  1.14D+00  1.12D+00
 E= -721.826041830042     Delta-E=       -0.000373069137 Rises=F Damp=F
 DIIS: error= 1.31D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -721.826041830042     IErMin= 4 ErrMin= 1.31D-04
 ErrMax= 1.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-05 BMatP= 5.64D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.31D-03
 Coeff-Com: -0.936D-02 0.194D-01 0.109D+00 0.881D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.935D-02 0.193D-01 0.109D+00 0.881D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=1.31D-04 MaxDP=5.49D-03 DE=-3.73D-04 OVMax= 1.15D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.69D-05    CP:  9.42D-01  1.15D+00  1.21D+00  1.11D+00
 E= -721.826056468669     Delta-E=       -0.000014638626 Rises=F Damp=F
 DIIS: error= 5.94D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -721.826056468669     IErMin= 5 ErrMin= 5.94D-05
 ErrMax= 5.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.19D-06 BMatP= 1.33D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.177D-02-0.557D-01-0.279D-01 0.397D+00 0.685D+00
 Coeff:      0.177D-02-0.557D-01-0.279D-01 0.397D+00 0.685D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=3.83D-05 MaxDP=1.55D-03 DE=-1.46D-05 OVMax= 6.49D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.28D-05    CP:  9.42D-01  1.15D+00  1.23D+00  1.18D+00  1.15D+00
 E= -721.826060257099     Delta-E=       -0.000003788430 Rises=F Damp=F
 DIIS: error= 2.14D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -721.826060257099     IErMin= 6 ErrMin= 2.14D-05
 ErrMax= 2.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.67D-07 BMatP= 4.19D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.190D-02-0.264D-01-0.265D-01 0.734D-01 0.297D+00 0.681D+00
 Coeff:      0.190D-02-0.264D-01-0.265D-01 0.734D-01 0.297D+00 0.681D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=1.10D-05 MaxDP=4.16D-04 DE=-3.79D-06 OVMax= 1.88D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.19D-06    CP:  9.42D-01  1.15D+00  1.23D+00  1.19D+00  1.21D+00
                    CP:  1.26D+00
 E= -721.826060701937     Delta-E=       -0.000000444839 Rises=F Damp=F
 DIIS: error= 5.25D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -721.826060701937     IErMin= 7 ErrMin= 5.25D-06
 ErrMax= 5.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.93D-08 BMatP= 4.67D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.239D-03 0.924D-03-0.290D-02-0.357D-01-0.201D-01 0.168D+00
 Coeff-Com:  0.889D+00
 Coeff:      0.239D-03 0.924D-03-0.290D-02-0.357D-01-0.201D-01 0.168D+00
 Coeff:      0.889D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=6.85D-06 MaxDP=2.18D-04 DE=-4.45D-07 OVMax= 8.72D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.07D-06    CP:  9.42D-01  1.15D+00  1.23D+00  1.19D+00  1.26D+00
                    CP:  1.42D+00  1.29D+00
 E= -721.826060752240     Delta-E=       -0.000000050302 Rises=F Damp=F
 DIIS: error= 2.01D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -721.826060752240     IErMin= 8 ErrMin= 2.01D-06
 ErrMax= 2.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.61D-09 BMatP= 2.93D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.110D-03 0.254D-02 0.180D-02-0.150D-01-0.311D-01-0.260D-01
 Coeff-Com:  0.204D+00 0.864D+00
 Coeff:     -0.110D-03 0.254D-02 0.180D-02-0.150D-01-0.311D-01-0.260D-01
 Coeff:      0.204D+00 0.864D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=2.33D-06 MaxDP=8.25D-05 DE=-5.03D-08 OVMax= 3.19D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.45D-07    CP:  9.42D-01  1.15D+00  1.23D+00  1.19D+00  1.26D+00
                    CP:  1.47D+00  1.43D+00  1.29D+00
 E= -721.826060756943     Delta-E=       -0.000000004703 Rises=F Damp=F
 DIIS: error= 5.92D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -721.826060756943     IErMin= 9 ErrMin= 5.92D-07
 ErrMax= 5.92D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-10 BMatP= 2.61D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.481D-04 0.595D-03 0.808D-03-0.117D-02-0.684D-02-0.248D-01
 Coeff-Com: -0.264D-01 0.255D+00 0.802D+00
 Coeff:     -0.481D-04 0.595D-03 0.808D-03-0.117D-02-0.684D-02-0.248D-01
 Coeff:     -0.264D-01 0.255D+00 0.802D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=6.08D-07 MaxDP=2.52D-05 DE=-4.70D-09 OVMax= 1.17D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.10D-07    CP:  9.42D-01  1.15D+00  1.23D+00  1.19D+00  1.26D+00
                    CP:  1.48D+00  1.47D+00  1.40D+00  1.12D+00
 E= -721.826060757525     Delta-E=       -0.000000000582 Rises=F Damp=F
 DIIS: error= 2.22D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -721.826060757525     IErMin=10 ErrMin= 2.22D-07
 ErrMax= 2.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.10D-11 BMatP= 3.47D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.231D-06-0.165D-03 0.130D-04 0.177D-02 0.242D-02-0.356D-02
 Coeff-Com: -0.333D-01-0.469D-01 0.209D+00 0.871D+00
 Coeff:     -0.231D-06-0.165D-03 0.130D-04 0.177D-02 0.242D-02-0.356D-02
 Coeff:     -0.333D-01-0.469D-01 0.209D+00 0.871D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=2.09D-07 MaxDP=1.14D-05 DE=-5.82D-10 OVMax= 4.92D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.59D-08    CP:  9.42D-01  1.15D+00  1.23D+00  1.19D+00  1.26D+00
                    CP:  1.49D+00  1.49D+00  1.44D+00  1.22D+00  1.24D+00
 E= -721.826060757610     Delta-E=       -0.000000000085 Rises=F Damp=F
 DIIS: error= 5.80D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -721.826060757610     IErMin=11 ErrMin= 5.80D-08
 ErrMax= 5.80D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.44D-12 BMatP= 4.10D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.560D-05-0.957D-04-0.941D-04 0.446D-03 0.119D-02 0.208D-02
 Coeff-Com: -0.273D-02-0.384D-01-0.506D-01 0.167D+00 0.921D+00
 Coeff:      0.560D-05-0.957D-04-0.941D-04 0.446D-03 0.119D-02 0.208D-02
 Coeff:     -0.273D-02-0.384D-01-0.506D-01 0.167D+00 0.921D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=6.37D-08 MaxDP=3.57D-06 DE=-8.50D-11 OVMax= 1.96D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.95D-08    CP:  9.42D-01  1.15D+00  1.23D+00  1.19D+00  1.26D+00
                    CP:  1.49D+00  1.49D+00  1.44D+00  1.24D+00  1.40D+00
                    CP:  1.24D+00
 E= -721.826060757609     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 2.28D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -721.826060757610     IErMin=12 ErrMin= 2.28D-08
 ErrMax= 2.28D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.79D-13 BMatP= 3.44D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-05-0.590D-05-0.225D-04-0.673D-04 0.284D-04 0.720D-03
 Coeff-Com:  0.233D-02-0.349D-02-0.280D-01-0.440D-01 0.182D+00 0.890D+00
 Coeff:      0.122D-05-0.590D-05-0.225D-04-0.673D-04 0.284D-04 0.720D-03
 Coeff:      0.233D-02-0.349D-02-0.280D-01-0.440D-01 0.182D+00 0.890D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=2.08D-08 MaxDP=7.43D-07 DE= 9.09D-13 OVMax= 6.72D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.00D-08    CP:  9.42D-01  1.15D+00  1.23D+00  1.19D+00  1.26D+00
                    CP:  1.49D+00  1.49D+00  1.44D+00  1.24D+00  1.43D+00
                    CP:  1.32D+00  1.21D+00
 E= -721.826060757600     Delta-E=        0.000000000010 Rises=F Damp=F
 DIIS: error= 8.15D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -721.826060757610     IErMin=13 ErrMin= 8.15D-09
 ErrMax= 8.15D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.84D-14 BMatP= 3.79D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.594D-06 0.143D-04 0.902D-05-0.912D-04-0.182D-03-0.116D-03
 Coeff-Com:  0.112D-02 0.504D-02 0.811D-04-0.387D-01-0.961D-01 0.237D+00
 Coeff-Com:  0.892D+00
 Coeff:     -0.594D-06 0.143D-04 0.902D-05-0.912D-04-0.182D-03-0.116D-03
 Coeff:      0.112D-02 0.504D-02 0.811D-04-0.387D-01-0.961D-01 0.237D+00
 Coeff:      0.892D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=7.44D-09 MaxDP=1.94D-07 DE= 9.55D-12 OVMax= 3.34D-07

 SCF Done:  E(RM11) =  -721.826060758     A.U. after   13 cycles
            NFock= 13  Conv=0.74D-08     -V/T= 2.0048
 KE= 7.184063880820D+02 PE=-2.474769943849D+03 EE= 6.486843708861D+02
 Leave Link  502 at Thu Aug 12 20:56:08 2021, MaxMem=  5368709120 cpu:            1078.3 elap:             135.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.54965511D+02

 Leave Link  801 at Thu Aug 12 20:56:09 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4327 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 1.78D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 1.52D-01 5.63D-02.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 1.97D-02 2.71D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 1.91D-03 8.53D-03.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 1.02D-04 1.81D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 3.65D-06 3.83D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 9.55D-08 4.57D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 3.18D-09 6.77D-06.
     11 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 7.67D-11 9.73D-07.
     10 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 1.49D-12 1.41D-07.
      5 vectors produced by pass 10 Test12= 1.05D-13 8.33D-09 XBig12= 2.73D-14 1.54D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.20D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.801316D+02
      2  0.313538D+01  0.775564D+02
      3 -0.191730D+00 -0.297920D+00  0.700307D+02
 Isotropic polarizability for W=    0.088559       75.91 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.660748D+02 -0.204887D+02 -0.362615D+02
      2   0.337222D+02  0.151657D+02  0.115394D+02
      3   0.323525D+02  0.532297D+01  0.247221D+02
      4  -0.132497D+01 -0.140727D+02 -0.128322D+02
      5  -0.240380D+02 -0.148570D+02 -0.439937D+02
      6  -0.258679D+01  0.860253D+01  0.134611D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.553626D+00 -0.156852D+01 -0.379081D+01
      2  -0.177057D+02 -0.797124D+01 -0.310824D+02
      3   0.136317D+02  0.104206D+02  0.734175D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.202476D+01 -0.293688D+01 -0.813809D+01
      2  -0.122235D+02 -0.102455D+02 -0.763462D+02
      3   0.191637D+02  0.477950D+02  0.122702D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.820935D+00  0.292349D+01 -0.108201D+01
      2   0.292349D+01  0.138632D+01  0.159654D+01
      3  -0.108201D+01  0.159654D+01 -0.641255D+00
 OR G Eigenvalues:    -3.8659     0.2499     3.5401  Iso=     0.0253
 Eigenvectors:
   (1)   0.687027  -0.532650   0.494245
   (2)  -0.512848   0.126411   0.849121
   (3)   0.514763   0.836842   0.186321
 w=    0.088559 a.u., Optical Rotation Beta=      0.0253 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =       10.58 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 4.77D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.93D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 3.84D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 1.99D-02 2.39D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 1.10D-03 3.53D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 1.73D-05 5.21D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 1.98D-07 5.61D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 1.95D-09 5.02D-06.
     30 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 1.80D-11 4.07D-07.
     30 vectors produced by pass  7 Test12= 1.74D-14 2.78D-09 XBig12= 1.44D-13 3.81D-08.
      2 vectors produced by pass  8 Test12= 1.74D-14 2.78D-09 XBig12= 1.13D-15 3.39D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   242 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 5.63D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 5.63D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.74D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.801316D+02  0.313538D+01 -0.191730D+00
      2   0.313538D+01  0.775564D+02 -0.297920D+00
      3  -0.191730D+00 -0.297920D+00  0.700307D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.553626D+00 -0.156852D+01 -0.379081D+01
      2  -0.177057D+02 -0.797124D+01 -0.310824D+02
      3   0.136317D+02  0.104206D+02  0.734175D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.660748D+02 -0.204887D+02 -0.362615D+02
      2   0.337222D+02  0.151657D+02  0.115394D+02
      3   0.323525D+02  0.532297D+01  0.247221D+02
      4  -0.132497D+01 -0.140727D+02 -0.128322D+02
      5  -0.240380D+02 -0.148570D+02 -0.439937D+02
      6  -0.258679D+01  0.860253D+01  0.134611D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.592723D+00 -0.122335D+01  0.241852D+01 -0.111836D+01  0.121596D+01
      2  -0.122335D+01  0.117751D+01  0.269632D+01  0.121596D+01  0.213801D+00
      3   0.241852D+01  0.269632D+01  0.483293D+01  0.273423D+01 -0.364491D+01
                 6             7             8             9            10 
      1   0.273423D+01  0.509545D+01  0.340754D+01  0.474373D+01 -0.967193D+01
      2  -0.364491D+01  0.340754D+01 -0.117835D+01  0.170112D+01  0.397383D+00
      3   0.287182D+01  0.474373D+01  0.170112D+01  0.290020D+01 -0.327267D+01
                11            12            13            14            15 
      1   0.397383D+00 -0.327267D+01  0.235700D+01 -0.461916D+01 -0.949956D+00
      2  -0.454489D+01 -0.823762D+00 -0.461916D+01  0.265071D+01  0.208011D+00
      3  -0.823762D+00 -0.491493D+01 -0.949956D+00  0.208011D+00  0.380193D+00
                16            17            18            19            20 
      1  -0.440565D+01 -0.188704D+01 -0.606778D+01  0.451521D+00  0.251465D+01
      2  -0.188704D+01  0.517973D+00 -0.876437D+00  0.251465D+01 -0.117909D+01
      3  -0.606778D+01 -0.876437D+00 -0.771340D+01 -0.185206D+01 -0.211356D+01
                21            22            23            24            25 
      1  -0.185206D+01  0.202527D+01 -0.187605D+01 -0.129998D+01 -0.304645D+01
      2  -0.211356D+01 -0.187605D+01 -0.327597D+00  0.160958D+01 -0.208250D+01
      3  -0.230160D+01 -0.129998D+01  0.160958D+01 -0.770719D+00 -0.366793D+01
                26            27            28            29            30 
      1  -0.208250D+01 -0.366793D+01  0.197880D+01  0.103767D+01  0.123652D+01
      2   0.532760D+00 -0.190342D+01  0.103767D+01  0.327877D+01  0.125679D+00
      3  -0.190342D+01 -0.468724D+01  0.123652D+01  0.125679D+00  0.146911D+01
                31            32            33            34            35 
      1   0.667471D+00  0.275487D+01 -0.167166D+00  0.212764D+01  0.590551D+00
      2   0.275487D+01 -0.271501D-01 -0.318080D+01  0.590551D+00 -0.315268D+01
      3  -0.167166D+00 -0.318080D+01  0.414084D-01  0.202075D+01  0.233643D+00
                36            37            38            39            40 
      1   0.202075D+01  0.122036D+01 -0.139800D+01  0.607045D+00 -0.831275D+00
      2   0.233643D+00 -0.139800D+01  0.180685D+01  0.785265D+00  0.836865D+00
      3  -0.546935D-01  0.607045D+00  0.785265D+00  0.957309D+00  0.860769D+00
                41            42            43            44            45 
      1   0.836865D+00  0.860769D+00 -0.834237D+00  0.131311D+01  0.896263D-01
      2   0.426171D+01 -0.221945D+01  0.131311D+01 -0.271901D+01  0.268122D+00
      3  -0.221945D+01 -0.358516D-01  0.896263D-01  0.268122D+00 -0.215324D+00
                46            47            48            49            50 
      1  -0.669157D+00 -0.273551D+01  0.620245D+00 -0.331627D+01  0.839393D+00
      2  -0.273551D+01  0.383629D+00 -0.497096D+00  0.839393D+00 -0.120839D+02
      3   0.620245D+00 -0.497096D+00 -0.260414D+00 -0.552383D-01  0.248868D+01
                51            52            53            54            55 
      1  -0.552383D-01  0.116609D+01 -0.512855D+00  0.170748D+00  0.550405D+01
      2   0.248868D+01 -0.512855D+00  0.171845D+01 -0.287672D+01  0.302651D+00
      3  -0.230981D+01  0.170748D+00 -0.287672D+01  0.203942D+01 -0.237808D+01
                56            57            58            59            60 
      1   0.302651D+00 -0.237808D+01 -0.210210D+01  0.291379D+01  0.833070D+00
      2   0.933354D+00 -0.141178D+00  0.291379D+01 -0.323672D+01 -0.662435D+00
      3  -0.141178D+00  0.104678D+01  0.833070D+00 -0.662435D+00 -0.583546D+00
                61            62            63            64            65 
      1  -0.166633D+01 -0.222099D+00  0.227553D+01  0.229691D+01  0.316847D+00
      2  -0.222099D+00  0.500180D+00  0.302107D+00  0.316847D+00  0.906471D+00
      3   0.227553D+01  0.302107D+00 -0.311340D+01  0.249554D+01  0.951396D+00
                66            67            68            69            70 
      1   0.249554D+01  0.180719D+00  0.121870D+01  0.791200D+00  0.334622D+01
      2   0.951396D+00  0.121870D+01  0.151229D+01  0.138298D+01  0.106969D+01
      3   0.240167D+01  0.791200D+00  0.138298D+01  0.126740D+01  0.316488D+01
                71            72            73            74            75 
      1   0.106969D+01  0.316488D+01  0.462985D+00 -0.678500D+00  0.723298D+00
      2   0.169263D+01  0.197788D+01 -0.678500D+00 -0.376472D+00 -0.126630D+00
      3   0.197788D+01  0.770250D+01  0.723298D+00 -0.126630D+00 -0.338146D+00
                76            77            78            79            80 
      1  -0.170434D+01 -0.446402D+00 -0.710781D+00  0.459953D+00 -0.132475D+00
      2  -0.446402D+00 -0.364638D+01  0.284201D+01 -0.132475D+00  0.190024D+01
      3  -0.710781D+00  0.284201D+01 -0.446195D+01 -0.333009D+00 -0.234113D+01
                81            82            83            84            85 
      1  -0.333009D+00 -0.278797D+01  0.151869D+01  0.152283D+01  0.221810D+01
      2  -0.234113D+01  0.151869D+01 -0.150295D+01 -0.149095D+01 -0.149821D+01
      3   0.420777D+01  0.152283D+01 -0.149095D+01 -0.278870D+01 -0.127801D+01
                86            87            88            89            90 
      1  -0.149821D+01 -0.127801D+01  0.100251D+01 -0.102376D+01 -0.217910D+01
      2   0.328841D+01  0.278273D+01 -0.102376D+01  0.153837D+01  0.168309D+01
      3   0.278273D+01  0.261289D+01 -0.217910D+01  0.168309D+01  0.329709D+01
                91            92            93            94            95 
      1   0.666295D+00  0.145013D+01  0.790902D-01  0.348363D+01 -0.895548D+00
      2   0.145013D+01 -0.308967D+00 -0.334853D+00 -0.895548D+00  0.450991D+01
      3   0.790902D-01 -0.334853D+00  0.296985D+00 -0.134015D+01 -0.517873D+00
                96            97            98            99           100 
      1  -0.134015D+01 -0.422996D+00 -0.486207D+00  0.649164D+00 -0.236671D+01
      2  -0.517873D+00 -0.486207D+00 -0.689163D+00  0.590134D+00 -0.344415D+00
      3   0.140818D+01  0.649164D+00  0.590134D+00 -0.137596D+01 -0.174795D+01
               101           102           103           104           105 
      1  -0.344415D+00 -0.174795D+01 -0.409104D+00 -0.110731D+01  0.103439D+00
      2  -0.209402D+01  0.284548D+00 -0.110731D+01  0.324449D+00 -0.446048D+00
      3   0.284548D+00 -0.139748D+01  0.103439D+00 -0.446048D+00  0.309526D+00
               106           107           108           109           110 
      1  -0.332812D+01 -0.402824D+00 -0.116278D+01  0.259173D+00  0.680623D+00
      2  -0.402824D+00 -0.179975D+01  0.810379D+00  0.680623D+00 -0.123371D+01
      3  -0.116278D+01  0.810379D+00 -0.269327D+01 -0.734036D-01 -0.122611D+00
               111           112           113           114           115 
      1  -0.734036D-01  0.141298D+01 -0.944866D+00 -0.233666D+00  0.562894D+00
      2  -0.122611D+00 -0.944866D+00  0.843641D+01  0.205531D+01 -0.795034D-01
      3   0.282132D-01 -0.233666D+00  0.205531D+01  0.157709D+01 -0.116888D+00
               116           117           118           119           120 
      1  -0.795034D-01 -0.116888D+00  0.206294D+01 -0.183887D+01 -0.378922D+00
      2   0.382120D+01  0.185887D+01 -0.183887D+01  0.275351D+01  0.807435D+00
      3   0.185887D+01  0.141073D+01 -0.378922D+00  0.807435D+00  0.968294D+00
               121           122           123           124           125 
      1  -0.286371D+01  0.160797D+01  0.712238D+00 -0.569703D-01  0.448379D+00
      2   0.160797D+01 -0.587592D+01 -0.269778D+01  0.448379D+00 -0.268284D+01
      3   0.712238D+00 -0.269778D+01 -0.230663D+01  0.413071D+00 -0.142765D+01
               126 
      1   0.413071D+00
      2  -0.142765D+01
      3  -0.170442D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.314222D+01  0.659499D+00  0.509827D+01 -0.201857D+01 -0.169085D+01
      2   0.511249D+01  0.161931D+01 -0.450821D+01  0.154113D+01  0.291304D+01
      3  -0.251135D+01  0.661777D+00  0.175535D+01  0.819831D+01  0.462376D+01
                 6             7             8             9            10 
      1  -0.102819D+02  0.432037D+01 -0.802924D+00  0.478502D+01 -0.343672D+01
      2  -0.843456D+01 -0.146043D+02 -0.576809D+01 -0.115809D+02  0.108472D+02
      3  -0.284461D+01  0.327959D+01 -0.681060D+00  0.239033D+01  0.388690D+01
                11            12            13            14            15 
      1   0.151352D+01 -0.346451D+01 -0.153761D+01 -0.671499D+01 -0.117084D+02
      2   0.614064D+01  0.225326D+02  0.649986D+01 -0.129196D+01 -0.456489D+00
      3  -0.193360D+02 -0.259827D+01 -0.679239D+00  0.104579D+02  0.304448D+01
                16            17            18            19            20 
      1   0.299262D-01  0.564021D+01 -0.118831D+01  0.475548D+01 -0.284129D+00
      2   0.181267D+01 -0.522476D+00  0.117156D+02 -0.590071D+01 -0.455658D+01
      3  -0.370718D+01  0.354630D+01  0.106520D+01 -0.107507D+01 -0.285068D+01
                21            22            23            24            25 
      1  -0.724595D+00 -0.328491D+00 -0.625786D+00  0.155414D+01  0.526149D+00
      2   0.163347D+01 -0.684465D+01  0.196858D+00 -0.116253D+01 -0.908541D+00
      3  -0.905565D+00  0.466712D+01  0.350398D+01  0.481246D+00  0.866839D+00
                26            27            28            29            30 
      1   0.688145D+01 -0.198270D+01 -0.535572D+01 -0.304772D+01 -0.410098D+01
      2  -0.130616D+01  0.113429D+01  0.302105D+01 -0.496402D+00  0.772905D+01
      3  -0.169620D+01 -0.934553D+00  0.547420D+01 -0.502502D+01  0.436253D+01
                31            32            33            34            35 
      1  -0.118976D+01  0.108256D+02 -0.333026D+01 -0.567118D+01  0.462628D+01
      2   0.199936D+01 -0.197448D+01  0.568991D+00  0.617783D+00  0.202005D+01
      3   0.401923D+01  0.350824D+01  0.208014D+01  0.522218D+01  0.571068D+01
                36            37            38            39            40 
      1   0.139665D+01 -0.154544D+01  0.311738D+01  0.931412D+00  0.398985D+01
      2  -0.100308D+01 -0.127993D+02  0.428664D+01 -0.244919D-01 -0.508156D+00
      3   0.376916D+01  0.707495D+01 -0.685195D+01 -0.968392D+00 -0.815118D+01
                41            42            43            44            45 
      1   0.132753D+01  0.518130D+01 -0.293359D+01  0.700153D+01 -0.227524D+01
      2   0.381341D+00  0.264838D+01 -0.124353D+02  0.407474D+01  0.919128D+01
      3  -0.962914D+01 -0.149323D+01  0.187407D+01 -0.241383D+01  0.171986D+00
                46            47            48            49            50 
      1   0.891200D+00 -0.254998D-01  0.386340D+00  0.533148D+00 -0.216590D+01
      2   0.303222D+01 -0.215879D+01  0.270679D+01  0.278887D+01  0.512662D+00
      3   0.419341D+01 -0.790238D+00  0.755379D+00  0.136518D+02  0.174753D+02
                51            52            53            54            55 
      1  -0.109480D+02  0.516077D+00  0.931133D-01  0.213966D+01  0.513047D+00
      2  -0.451447D+01 -0.930919D+00 -0.567628D+01  0.794401D+00  0.148215D+01
      3  -0.207313D+01 -0.108328D+01 -0.115602D+01  0.488476D+01 -0.821136D+00
                56            57            58            59            60 
      1  -0.410498D+01 -0.131465D+01 -0.431710D+01  0.727919D+01 -0.248321D+01
      2  -0.213416D+01  0.662181D+01 -0.115674D+01  0.503391D+00 -0.178598D+01
      3  -0.924576D+01  0.889555D+00 -0.667116D+01  0.144551D+02  0.238218D+01
                61            62            63            64            65 
      1   0.150184D+01  0.287680D+01 -0.728417D-02 -0.103811D+01  0.131733D+01
      2   0.442724D+01 -0.135990D+01 -0.982079D+01 -0.163432D+01 -0.361490D+00
      3  -0.748967D+00  0.303244D+01 -0.148823D+01  0.144986D+01 -0.160717D+01
                66            67            68            69            70 
      1  -0.931597D+00  0.859056D+00  0.191476D+01 -0.554615D+00 -0.305325D+00
      2   0.581906D-01  0.350417D+00 -0.920192D+00  0.465718D+00 -0.462305D+01
      3   0.143482D+01  0.602837D+00 -0.102879D+01 -0.234172D+00  0.149108D+01
                71            72            73            74            75 
      1   0.233376D+01 -0.247599D+01 -0.781584D+00  0.683274D+00 -0.646672D+00
      2  -0.463486D+00  0.290631D+00 -0.325312D+01  0.828997D+00  0.223312D+00
      3  -0.805097D+00  0.932765D+00 -0.101019D+01 -0.821702D+00 -0.505276D+00
                76            77            78            79            80 
      1   0.281527D+00 -0.569011D+01  0.323660D+01 -0.183897D+00  0.512935D+01
      2   0.384593D+01 -0.287268D+01  0.610013D+01 -0.241794D+01  0.237252D+01
      3   0.168169D+01 -0.545519D+01  0.399568D+01 -0.701046D+00  0.203022D+01
                81            82            83            84            85 
      1  -0.332913D+01  0.184789D+01 -0.171994D+01 -0.964696D+00 -0.154523D+01
      2  -0.310167D+01  0.199539D+01 -0.580656D-01  0.282404D+01 -0.273363D+01
      3  -0.280878D+01  0.103794D+01 -0.327388D+01 -0.193913D+01  0.353240D+00
                86            87            88            89            90 
      1   0.414950D+01  0.161264D+01 -0.856326D+00  0.360727D+01  0.324082D+00
      2  -0.139413D+01 -0.188976D+01 -0.934467D+00 -0.838856D+00 -0.948420D+00
      3   0.425665D+01  0.343112D+01 -0.491142D+00  0.195760D+01  0.160414D+01
                91            92            93            94            95 
      1  -0.157929D+01  0.329441D+01 -0.951365D+00  0.417160D+01 -0.868995D+01
      2  -0.180916D+01  0.980257D+00 -0.524053D-01  0.103538D+01 -0.330574D+01
      3  -0.145074D+01  0.388667D+01  0.103162D+01  0.787188D+01 -0.179495D+02
                96            97            98            99           100 
      1   0.334643D-01 -0.695187D+00  0.168008D+01  0.831575D+00  0.608310D+01
      2   0.319449D+01 -0.114164D+01  0.155068D+01 -0.503652D+00 -0.401116D+01
      3  -0.236370D+00  0.876730D-01 -0.148016D+00 -0.183391D+00 -0.837627D+01
               101           102           103           104           105 
      1   0.135434D+01  0.535023D+01  0.120727D+01  0.145946D+01 -0.607116D+00
      2  -0.410801D+00 -0.286891D+01 -0.147504D+01 -0.212676D+01 -0.476733D+00
      3  -0.226843D+01 -0.472763D+01 -0.869798D+00 -0.222982D+01  0.662473D+00
               106           107           108           109           110 
      1   0.501133D+01  0.692058D+00  0.566479D+01  0.831252D+00  0.722385D+00
      2  -0.564013D+01 -0.989693D+00 -0.169300D+01  0.965051D-01  0.616064D-01
      3  -0.873363D+01 -0.398995D+00 -0.349541D+01 -0.198796D+00  0.118007D+01
               111           112           113           114           115 
      1   0.341407D+00  0.127279D+01 -0.635226D+01 -0.565110D+01  0.449002D+00
      2  -0.679609D-01 -0.282097D+00  0.158307D+01  0.821457D+00 -0.842148D+00
      3  -0.460322D+00  0.561385D+01 -0.661643D+01 -0.234853D+01  0.207566D+01
               116           117           118           119           120 
      1  -0.416692D+01 -0.393735D+01  0.195711D+01 -0.347987D+01  0.991402D+00
      2   0.142149D+01  0.891606D+00  0.372732D+01 -0.390254D+01 -0.180422D+01
      3  -0.266216D+01 -0.168373D+01 -0.924407D+01  0.757163D+01  0.202207D+01
               121           122           123           124           125 
      1  -0.128502D+01  0.513523D+01 -0.105668D+01 -0.138803D+00  0.317860D+01
      2  -0.506061D+01  0.779558D+01  0.492136D+01 -0.243278D+01  0.391677D+01
      3   0.976492D+01 -0.138033D+02 -0.692640D+01  0.568152D+00 -0.631585D+01
               126 
      1  -0.925212D-01
      2   0.471286D+01
      3  -0.422426D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.560697D+01 -0.934828D+00 -0.637438D+01 -0.269971D+01  0.554801D+01
      2  -0.104697D+01 -0.490119D+01  0.547732D+01 -0.218563D+01  0.169756D+01
      3   0.665394D+01  0.583602D+01  0.897057D+00  0.488533D+01 -0.724557D+01
      4   0.337248D+01 -0.591783D+01 -0.595828D+01 -0.295541D+01  0.261790D+01
      5  -0.329651D+01 -0.884482D+01 -0.175930D+02 -0.121952D+02  0.127905D+02
      6  -0.278776D+01  0.404022D+01  0.427565D+01  0.587220D+01  0.120960D+01
                 6             7             8             9            10 
      1  -0.824883D+01 -0.231568D+02 -0.972972D+01 -0.943783D+01  0.614492D+02
      2   0.486534D+01  0.958990D+01  0.646646D+00  0.572351D+01 -0.332646D+02
      3   0.338349D+01  0.135669D+02  0.908308D+01  0.371432D+01 -0.281846D+02
      4   0.918385D+01 -0.133706D+02 -0.671800D+00  0.142528D+00  0.609688D+01
      5  -0.354116D+01 -0.171229D+02 -0.803257D+00 -0.800543D+01  0.159900D+02
      6  -0.122899D+02  0.314184D+01 -0.102800D+02  0.127154D+01 -0.163191D+01
                11            12            13            14            15 
      1  -0.308147D+01  0.823354D+01 -0.149457D+02  0.148969D+02  0.614108D+01
      2   0.725688D+01 -0.670328D+01  0.146929D+02  0.426640D+01 -0.658012D+01
      3  -0.417541D+01 -0.153027D+01  0.252802D+00 -0.191633D+02  0.439038D+00
      4   0.294998D+02  0.170407D+01  0.334713D+02  0.293021D-01  0.156305D+01
      5  -0.159915D+00  0.352548D+02  0.142588D+01  0.274290D+01  0.244702D+01
      6   0.748471D+01  0.423225D+01  0.581675D+01 -0.985106D+01  0.115671D+02
                16            17            18            19            20 
      1   0.106351D+02  0.882679D+01  0.107554D+02 -0.171736D+01  0.619288D+01
      2  -0.107123D+02 -0.535674D+01 -0.259701D+02  0.960975D+01 -0.100353D+01
      3   0.772889D-01 -0.347006D+01  0.152147D+02 -0.789239D+01 -0.518934D+01
      4   0.622228D+01 -0.216606D+01  0.435626D+01  0.247500D+01  0.614133D+00
      5   0.402287D+02  0.717147D+01  0.291133D+02 -0.405226D+01 -0.141231D+01
      6   0.722779D+01  0.102897D+02 -0.648454D+00 -0.426513D+01 -0.586460D+01
                21            22            23            24            25 
      1   0.683080D+01  0.953148D+00 -0.112160D+01 -0.444121D+00  0.124620D+02
      2   0.276556D+01  0.184663D+01 -0.284983D+01  0.366906D+01 -0.568288D+00
      3  -0.959637D+01 -0.279978D+01  0.397143D+01 -0.322494D+01 -0.118938D+02
      4  -0.401540D+01 -0.620496D+01 -0.640972D+01  0.150652D+01  0.365946D+01
      5  -0.693211D+01  0.192485D+01 -0.693164D+00 -0.750665D+01 -0.406304D+01
      6  -0.706631D+01 -0.241162D+01  0.184289D+01 -0.246820D+01 -0.601417D+01
                26            27            28            29            30 
      1   0.136934D+01  0.781418D+01  0.730742D+01 -0.101258D+02 -0.532546D+00
      2   0.106075D+02  0.673561D+01 -0.663281D+00  0.146858D+02  0.671949D+00
      3  -0.119768D+02 -0.145498D+02 -0.664414D+01 -0.455997D+01 -0.139403D+00
      4   0.170180D+01 -0.588386D+01  0.205188D+01  0.532734D+01  0.537278D+01
      5  -0.401366D+01 -0.103617D+02 -0.221073D+01  0.546222D+00  0.531907D+01
      6  -0.247018D+01 -0.965405D+01  0.543090D+01 -0.315884D+00  0.722702D+01
                31            32            33            34            35 
      1  -0.548044D+01  0.932231D+00  0.966725D+01 -0.257886D+01  0.106003D+02
      2   0.980467D+01 -0.102466D+01 -0.145637D+02  0.367505D+01 -0.197386D+02
      3  -0.432423D+01  0.924276D-01  0.489648D+01 -0.109619D+01  0.913833D+01
      4   0.911886D+01  0.111536D+02 -0.380210D+01  0.523190D+01 -0.450309D+01
      5  -0.546581D+00 -0.266938D+01  0.275650D+01  0.487524D+01  0.138200D+01
      6  -0.152068D+01 -0.178901D+02  0.453198D+01  0.593077D+01  0.147364D+01
                36            37            38            39            40 
      1   0.627694D+00 -0.490769D+01 -0.528076D+01  0.108275D+01 -0.189973D+01
      2  -0.309763D+01 -0.249077D+00  0.240583D+01 -0.756747D+01  0.314519D+01
      3   0.246994D+01  0.515677D+01  0.287492D+01  0.648472D+01 -0.124546D+01
      4   0.634832D+01 -0.443568D+01  0.130043D+01  0.205323D+01 -0.873444D+01
      5  -0.446843D+01  0.743100D+01  0.237837D+01 -0.251655D+01  0.424836D+01
      6  -0.300188D+01  0.317966D+00  0.394297D-01  0.647437D+00 -0.162489D+01
                41            42            43            44            45 
      1   0.167055D+02 -0.218001D+01  0.114487D+02  0.207372D+01  0.107263D+00
      2  -0.271929D+02  0.737530D-01 -0.931703D+01  0.268321D+01 -0.159948D+01
      3   0.104873D+02  0.210626D+01 -0.213164D+01 -0.475693D+01  0.149222D+01
      4   0.176653D+02 -0.515717D+01  0.767649D+01 -0.230940D+01  0.217618D+01
      5  -0.824276D+01  0.421858D+01 -0.279868D+00  0.184307D+01  0.887701D+01
      6   0.694064D+01 -0.923691D+01  0.297077D+01  0.311432D+00  0.237781D+01
                46            47            48            49            50 
      1   0.398927D+01 -0.675395D+01  0.113776D+01 -0.607940D+01 -0.293396D+02
      2   0.354938D+01  0.277234D+01  0.137605D+00  0.257821D+00  0.526527D+02
      3  -0.753865D+01  0.398160D+01 -0.127537D+01  0.582158D+01 -0.233131D+02
      4  -0.890515D+01  0.144257D+02 -0.334633D+01  0.175445D+02 -0.347967D+02
      5   0.386443D+01 -0.343946D+01  0.565426D+01 -0.221858D+01  0.109439D+02
      6  -0.219405D+01  0.159030D+01 -0.205835D+01  0.320322D+01 -0.112305D+02
                51            52            53            54            55 
      1   0.653087D+01  0.953268D+00  0.356406D+01 -0.765546D+01  0.415092D+02
      2  -0.587150D+01  0.978767D+00 -0.443177D+01  0.474532D+01 -0.263315D+02
      3  -0.659374D+00 -0.193204D+01  0.867709D+00  0.291014D+01 -0.151777D+02
      4   0.678604D+01 -0.379282D+01  0.466936D+01 -0.902547D+01  0.304885D+01
      5  -0.940762D+01  0.480385D+01 -0.989244D+01  0.650341D+01 -0.160795D+02
      6   0.156051D+02 -0.298952D+01  0.152455D+02 -0.661947D+01  0.927175D+00
                56            57            58            59            60 
      1   0.290211D+01 -0.864609D+01 -0.732789D+01  0.852832D+01  0.250138D+01
      2  -0.155976D+00  0.101660D+02  0.658953D+01 -0.449684D+01 -0.250344D+01
      3  -0.274613D+01 -0.151988D+01  0.738357D+00 -0.403148D+01  0.206633D-02
      4   0.970238D+01 -0.454550D+00  0.134746D+02 -0.901521D+01 -0.300735D+01
      5  -0.334456D+00  0.152714D+02  0.372140D+01 -0.397253D+01 -0.324624D+01
      6  -0.117817D+01  0.485834D+00 -0.249539D+01  0.301308D+01  0.632222D+01
                61            62            63            64            65 
      1  -0.103002D+02 -0.141519D+01  0.319721D+01  0.277016D+01 -0.144215D+01
      2   0.100652D+02  0.221546D+00 -0.139033D+02 -0.703710D+01  0.970100D-01
      3   0.235003D+00  0.119365D+01  0.107061D+02  0.426694D+01  0.134514D+01
      4  -0.306697D+01 -0.137396D+01  0.601062D+00  0.411942D+01  0.558978D+01
      5   0.162969D+02  0.165903D+01 -0.197951D+02  0.971497D+01  0.366566D+01
      6  -0.110262D+01  0.418957D+01  0.136469D+01  0.511187D+01  0.419205D+01
                66            67            68            69            70 
      1  -0.202594D+01 -0.110582D+01 -0.456738D+01 -0.370188D+01 -0.460241D+01
      2  -0.586913D+01  0.125026D+00  0.147721D+01  0.882212D+00 -0.451871D+01
      3   0.789507D+01  0.980789D+00  0.309018D+01  0.281967D+01  0.912112D+01
      4   0.431659D+01  0.496852D+01  0.340948D+01  0.340183D+01  0.279632D+01
      5   0.125314D+02  0.248956D+01  0.334825D+01  0.345743D+01  0.105707D+02
      6   0.553837D+01  0.435436D+01  0.543537D+01  0.912363D+01  0.587172D+01
                71            72            73            74            75 
      1  -0.516934D+01 -0.160996D+02  0.266099D+00  0.164626D+01 -0.215146D+01
      2  -0.149984D+01 -0.145831D+02 -0.642736D+00  0.335880D+00  0.467705D+00
      3   0.666917D+01  0.306826D+02  0.376636D+00 -0.198214D+01  0.168376D+01
      4   0.354544D+01  0.555874D+01  0.111723D+01  0.325648D+01 -0.145317D+01
      5   0.411221D+01  0.172516D+02 -0.112110D+01 -0.161291D+01  0.578295D+01
      6   0.869856D+01  0.158795D+02 -0.296704D+01  0.181784D-01 -0.387635D+00
                76            77            78            79            80 
      1   0.432495D+01 -0.773463D+01  0.117890D+02 -0.614741D-01  0.693930D+01
      2  -0.269570D+01  0.196954D+01 -0.186779D+00  0.573854D+00  0.157822D+01
      3  -0.162925D+01  0.576509D+01 -0.116022D+02 -0.512380D+00 -0.851752D+01
      4   0.318347D+01  0.592270D+01 -0.448680D+01 -0.167054D+00 -0.165903D+01
      5  -0.885403D-01 -0.733933D+01  0.109957D+02  0.463180D+01  0.459739D+01
      6  -0.217121D+00 -0.130060D+02  0.140289D+02 -0.854340D+00  0.107508D+02
                81            82            83            84            85 
      1  -0.119477D+02  0.752439D+01 -0.227238D+01 -0.146531D+01 -0.208138D+01
      2  -0.652532D+01 -0.592268D+01  0.231746D+01  0.518563D+01  0.204959D+01
      3   0.184730D+02 -0.160171D+01 -0.450812D-01 -0.372032D+01  0.317836D-01
      4   0.213214D+01 -0.784682D+01  0.851533D+01  0.733376D+01  0.834830D+01
      5  -0.864022D+01 -0.116380D+02  0.872204D+01  0.151091D+02  0.878947D+01
      6  -0.124322D+02  0.568071D+01 -0.431955D+01 -0.439284D+01 -0.583279D+01
                86            87            88            89            90 
      1  -0.421452D+01 -0.333789D+01  0.124994D+01 -0.186077D+01 -0.435193D+01
      2   0.325137D+01 -0.151436D+01  0.371227D+01 -0.204503D+01 -0.754450D+01
      3   0.963145D+00  0.485225D+01 -0.496221D+01  0.390580D+01  0.118964D+02
      4  -0.126456D+02 -0.997683D+01  0.502634D+01 -0.489763D+01 -0.742333D+01
      5  -0.117916D+02 -0.113023D+02  0.116272D+02 -0.785807D+01 -0.142403D+02
      6   0.110864D+02  0.112234D+02 -0.416145D+01  0.885798D+01  0.907966D+01
                91            92            93            94            95 
      1  -0.170429D+01  0.374151D+01  0.118608D+00  0.143152D+02 -0.478693D+01
      2   0.354170D+01 -0.153866D+01 -0.137767D+01 -0.106453D+02  0.497102D+01
      3  -0.183741D+01 -0.220285D+01  0.125906D+01 -0.366992D+01 -0.184089D+00
      4   0.685782D+01  0.100816D+01 -0.156810D+01  0.121460D+01  0.149431D+02
      5   0.853935D+00 -0.235108D+01 -0.291275D+00 -0.737633D+01 -0.135147D+01
      6  -0.143012D+01 -0.454795D+00  0.221173D+01 -0.165905D+01 -0.488893D+01
                96            97            98            99           100 
      1  -0.335240D+01  0.147036D+01  0.268683D+00 -0.105313D+01  0.437147D+00
      2   0.407738D+01 -0.642578D+00  0.432284D+00 -0.123012D+01 -0.210000D+01
      3  -0.724985D+00 -0.827779D+00 -0.700967D+00  0.228325D+01  0.166285D+01
      4  -0.350011D+01 -0.218496D+01 -0.262467D+01  0.297733D+01 -0.544396D+01
      5   0.714158D+01  0.285709D+01  0.263770D+01 -0.307226D+01  0.254735D+01
      6   0.148573D+01  0.173483D+01  0.267792D+01 -0.319787D+01 -0.547696D+01
               101           102           103           104           105 
      1   0.607355D+01 -0.516070D+00  0.184956D+01 -0.420927D+00  0.147793D+01
      2  -0.917046D+01  0.159312D+00 -0.362202D+01  0.190865D+01 -0.155426D+01
      3   0.309691D+01  0.356758D+00  0.177246D+01 -0.148772D+01  0.763370D-01
      4   0.303404D+01 -0.433130D+01  0.251105D+01 -0.285385D+01  0.128624D+01
      5  -0.150379D+00  0.101124D+01  0.110320D+00  0.111321D+01 -0.125411D+01
      6   0.224540D+01 -0.722568D+01  0.193956D+01 -0.160228D+01  0.220251D+01
               106           107           108           109           110 
      1  -0.542863D+00  0.470539D+01 -0.449310D+01 -0.642844D+00  0.394914D+01
      2  -0.195674D+01 -0.597985D+01 -0.523637D+00  0.203605D+01 -0.727340D+01
      3   0.249960D+01  0.127445D+01  0.501673D+01 -0.139320D+01  0.332426D+01
      4  -0.790630D+01  0.116733D+01 -0.448622D+01  0.339441D-01  0.486609D+01
      5   0.253422D+01 -0.814669D+00  0.228751D+01 -0.553732D+00  0.106876D+01
      6  -0.517860D+01  0.381826D+01 -0.942737D+01  0.587413D+00 -0.134346D+01
               111           112           113           114           115 
      1   0.234044D+00  0.249975D+01 -0.264790D+02 -0.700123D+01  0.274099D+00
      2  -0.129707D+00 -0.462296D+01  0.457831D+02  0.112691D+02 -0.433124D+00
      3  -0.104336D+00  0.212320D+01 -0.193040D+02 -0.426784D+01  0.159024D+00
      4   0.882532D+00  0.492787D+01 -0.541005D+00 -0.320571D+00  0.130332D+01
      5   0.171367D+01 -0.272540D+00  0.123858D+01  0.719800D+00  0.146074D+01
      6  -0.614495D+00 -0.150301D+01  0.152808D+02  0.904372D+01 -0.527692D+00
               116           117           118           119           120 
      1  -0.122983D+02 -0.691329D+01 -0.383152D+01  0.956640D+01  0.381865D+01
      2   0.187063D+02  0.777802D+01  0.509996D+01 -0.791821D+01 -0.325599D+01
      3  -0.640802D+01 -0.864728D+00 -0.126844D+01 -0.164819D+01 -0.562659D+00
      4   0.892004D+00  0.394149D+00  0.593490D+00 -0.366540D+01 -0.833755D+00
      5   0.106779D+01  0.682341D+00 -0.164158D+01  0.162637D+01 -0.284284D+00
      6   0.134006D+02  0.853387D+01  0.269692D+01 -0.613384D+01 -0.287299D+01
               121           122           123           124           125 
      1   0.155872D+02 -0.196507D+02 -0.964251D+01  0.287706D+01 -0.767565D+01
      2  -0.105593D+02  0.209953D+02  0.754015D+01 -0.318429D+00  0.437477D+01
      3  -0.502791D+01 -0.134461D+01  0.210236D+01 -0.255863D+01  0.330088D+01
      4  -0.736639D+00  0.136560D+02  0.633165D+01 -0.142740D+01  0.822969D+01
      5  -0.120741D-01  0.388290D+01  0.452146D+01  0.171095D+01  0.204681D+01
      6  -0.411327D+01  0.133621D+02  0.889154D+01 -0.291396D+01  0.105926D+02
               126 
      1  -0.723687D+01
      2   0.330760D+01
      3   0.392927D+01
      4   0.213217D+01
      5   0.367654D+01
      6   0.617627D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:15:24 2021, MaxMem=  5368709120 cpu:            9232.8 elap:            1154.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -89.45702 -19.51725 -19.46736 -14.64545 -10.57964
 Alpha  occ. eigenvalues --  -10.51008 -10.48969  -8.12413  -6.11642  -6.11348
 Alpha  occ. eigenvalues --   -6.10840  -1.25372  -1.16316  -1.07176  -0.94627
 Alpha  occ. eigenvalues --   -0.86153  -0.77789  -0.73278  -0.68145  -0.64152
 Alpha  occ. eigenvalues --   -0.61096  -0.59066  -0.57876  -0.55006  -0.53842
 Alpha  occ. eigenvalues --   -0.51167  -0.48472  -0.44538  -0.43781  -0.42351
 Alpha  occ. eigenvalues --   -0.38418  -0.35990
 Alpha virt. eigenvalues --   -0.02256  -0.00438   0.00080   0.00449   0.02084
 Alpha virt. eigenvalues --    0.02520   0.02803   0.04630   0.04923   0.07322
 Alpha virt. eigenvalues --    0.07595   0.07860   0.08588   0.08763   0.09391
 Alpha virt. eigenvalues --    0.09591   0.11223   0.11366   0.12077   0.12316
 Alpha virt. eigenvalues --    0.13374   0.14362   0.15390   0.16192   0.16422
 Alpha virt. eigenvalues --    0.17518   0.18334   0.19523   0.20127   0.22126
 Alpha virt. eigenvalues --    0.23049   0.23996   0.24515   0.25141   0.25623
 Alpha virt. eigenvalues --    0.26221   0.27568   0.28392   0.29460   0.30508
 Alpha virt. eigenvalues --    0.30711   0.31333   0.32661   0.33195   0.34334
 Alpha virt. eigenvalues --    0.35494   0.36666   0.37854   0.38838   0.39061
 Alpha virt. eigenvalues --    0.39595   0.41052   0.41195   0.43966   0.44658
 Alpha virt. eigenvalues --    0.45009   0.46460   0.47000   0.47989   0.49139
 Alpha virt. eigenvalues --    0.49518   0.49862   0.51005   0.51683   0.52704
 Alpha virt. eigenvalues --    0.53622   0.53861   0.55606   0.56967   0.58101
 Alpha virt. eigenvalues --    0.58804   0.60787   0.61383   0.61772   0.61928
 Alpha virt. eigenvalues --    0.63885   0.65277   0.66529   0.67753   0.68479
 Alpha virt. eigenvalues --    0.69522   0.71138   0.73152   0.73367   0.73956
 Alpha virt. eigenvalues --    0.76243   0.77342   0.78919   0.81133   0.82465
 Alpha virt. eigenvalues --    0.83237   0.85197   0.85951   0.88807   0.89868
 Alpha virt. eigenvalues --    0.91396   0.92337   0.94605   0.97030   0.98393
 Alpha virt. eigenvalues --    1.00025   1.00919   1.02373   1.03259   1.03398
 Alpha virt. eigenvalues --    1.06786   1.07326   1.08887   1.09850   1.12554
 Alpha virt. eigenvalues --    1.12868   1.14074   1.15564   1.17594   1.18411
 Alpha virt. eigenvalues --    1.20382   1.21475   1.24697   1.27008   1.29135
 Alpha virt. eigenvalues --    1.32231   1.32850   1.36680   1.36814   1.39089
 Alpha virt. eigenvalues --    1.43184   1.44971   1.50330   1.53339   1.53911
 Alpha virt. eigenvalues --    1.54649   1.57871   1.61871   1.63881   1.64750
 Alpha virt. eigenvalues --    1.68279   1.69686   1.74221   1.75883   1.80052
 Alpha virt. eigenvalues --    1.81130   1.82881   1.83690   1.85962   1.88577
 Alpha virt. eigenvalues --    1.89722   1.90406   1.94524   1.96386   1.97351
 Alpha virt. eigenvalues --    2.00740   2.03586   2.05300   2.08490   2.09532
 Alpha virt. eigenvalues --    2.12884   2.14043   2.17007   2.18145   2.20445
 Alpha virt. eigenvalues --    2.21690   2.24820   2.26133   2.28262   2.29708
 Alpha virt. eigenvalues --    2.32615   2.36599   2.42421   2.43112   2.49440
 Alpha virt. eigenvalues --    2.51783   2.57947   2.60352   2.64820   2.67867
 Alpha virt. eigenvalues --    2.71133   2.77308   2.82732   2.84475   2.90220
 Alpha virt. eigenvalues --    2.96975   3.06892   3.07210   3.17317   3.30515
 Alpha virt. eigenvalues --    3.40201   3.43982   3.46086   3.49152   3.51329
 Alpha virt. eigenvalues --    3.53309   3.56010   3.63247   3.75852   3.85290
 Alpha virt. eigenvalues --    4.00724
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.074467   0.385273   0.379962  -0.152753  -0.349251   0.019589
     2  S    0.385273  15.340374  -0.145383  -0.037425  -0.029954   0.003431
     3  C    0.379962  -0.145383   6.350885   0.400627  -0.962352  -0.054371
     4  N   -0.152753  -0.037425   0.400627   6.214717  -0.017163  -0.005610
     5  C   -0.349251  -0.029954  -0.962352  -0.017163   6.762678   0.635776
     6  O    0.019589   0.003431  -0.054371  -0.005610   0.635776   7.667300
     7  O   -0.016865   0.001386   0.109895  -0.019076   0.100950  -0.064452
     8  H   -0.005477   0.030783  -0.058173  -0.012582  -0.127955   0.008593
     9  H    0.153836  -0.049173   0.026640   0.009757  -0.065658  -0.009612
    10  H    0.220007  -0.222275   0.212807  -0.002505  -0.010377   0.006518
    11  H    0.011196  -0.001665  -0.105368   0.053426  -0.051554   0.011215
    12  H   -0.122651   0.043835  -0.156182   0.404953   0.071798  -0.000340
    13  H    0.014988   0.001076   0.100689   0.220611  -0.064011   0.001261
    14  H   -0.043640   0.328893   0.009865  -0.006232  -0.018059   0.013948
               7          8          9         10         11         12
     1  C   -0.016865  -0.005477   0.153836   0.220007   0.011196  -0.122651
     2  S    0.001386   0.030783  -0.049173  -0.222275  -0.001665   0.043835
     3  C    0.109895  -0.058173   0.026640   0.212807  -0.105368  -0.156182
     4  N   -0.019076  -0.012582   0.009757  -0.002505   0.053426   0.404953
     5  C    0.100950  -0.127955  -0.065658  -0.010377  -0.051554   0.071798
     6  O   -0.064452   0.008593  -0.009612   0.006518   0.011215  -0.000340
     7  O    7.853271   0.012129   0.006376   0.000276   0.264252  -0.002601
     8  H    0.012129   1.421042  -0.010297  -0.086292  -0.000564   0.042087
     9  H    0.006376  -0.010297   1.598883  -0.370969  -0.000795   0.009002
    10  H    0.000276  -0.086292  -0.370969   1.379987   0.000188  -0.029854
    11  H    0.264252  -0.000564  -0.000795   0.000188   0.653220  -0.005929
    12  H   -0.002601   0.042087   0.009002  -0.029854  -0.005929   0.869384
    13  H    0.006799  -0.092963  -0.002695   0.006719   0.002565  -0.161152
    14  H    0.000164   0.005317  -0.060583   0.030946  -0.000428  -0.007570
              13         14
     1  C    0.014988  -0.043640
     2  S    0.001076   0.328893
     3  C    0.100689   0.009865
     4  N    0.220611  -0.006232
     5  C   -0.064011  -0.018059
     6  O    0.001261   0.013948
     7  O    0.006799   0.000164
     8  H   -0.092963   0.005317
     9  H   -0.002695  -0.060583
    10  H    0.006719   0.030946
    11  H    0.002565  -0.000428
    12  H   -0.161152  -0.007570
    13  H    0.914678  -0.000469
    14  H   -0.000469   0.780920
 Mulliken charges:
               1
     1  C    0.431319
     2  S    0.350824
     3  C   -0.109541
     4  N   -0.050744
     5  C    0.125132
     6  O   -0.233246
     7  O   -0.252503
     8  H   -0.125647
     9  H   -0.234712
    10  H   -0.135175
    11  H    0.170241
    12  H    0.045220
    13  H    0.051903
    14  H   -0.033071
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.061432
     2  S    0.317753
     3  C   -0.235188
     4  N    0.046379
     5  C    0.125132
     6  O   -0.233246
     7  O   -0.082262
 Electronic spatial extent (au):  <R**2>=            949.8041
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.4293    Y=              4.2023    Z=              1.5689  Tot=              4.7078
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.4758   YY=            -49.2060   ZZ=            -47.0163
   XY=              3.8894   XZ=              0.3614   YZ=              2.9631
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.2431   YY=              2.0267   ZZ=              4.2164
   XY=              3.8894   XZ=              0.3614   YZ=              2.9631
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             12.1323  YYY=             20.0451  ZZZ=              2.2509  XYY=             -5.9457
  XXY=              9.8195  XXZ=              5.3587  XZZ=              1.1398  YZZ=              1.9676
  YYZ=             -1.3428  XYZ=             -1.5916
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -763.6388 YYYY=           -316.2172 ZZZZ=           -183.8722 XXXY=             -1.2665
 XXXZ=              0.0314 YYYX=              7.2333 YYYZ=             14.7365 ZZZX=             -2.5562
 ZZZY=              1.2036 XXYY=           -180.7631 XXZZ=           -145.1862 YYZZ=            -79.9021
 XXYZ=              1.1509 YYXZ=             -0.9620 ZZXY=              5.9964
 N-N= 3.858531241237D+02 E-N=-2.474769944992D+03  KE= 7.184063880820D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:15:25 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.47114558D-01 1.62828086D+00 5.51659732D-01
 Polarizability= 7.16603778D+01 2.43581861D+00 7.01116046D+01
                 6.18175180D-01 5.03304063D-01 6.28141698D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0935    0.0959        1.5704    1.5677
 2     -0.0935   -0.0959        0.1614    0.1490       -1.2829   -1.2876
 3     -1.5704   -1.5677        5.0504    5.0505       -0.1468   -0.1490
 4     -0.1614   -0.1490       -0.0000    0.0000       -1.5687   -1.5677
 5     -3.7676   -3.7629        1.5687    1.5677        0.0791    0.0959
 6      0.1467    0.1490       -0.0791   -0.0959       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2876   -0.2876        4.7031    4.7031
 2     -0.4469   -0.4469        0.0000    0.0000        4.7031    4.7031
 3     -0.4469   -0.4469       -0.2876   -0.2876        0.0000    0.0000
 4     -0.2876   -0.2876        0.4469    0.4469       -3.8628   -3.8628
 5     -4.7031   -4.7031       15.1514   15.1514       -0.4469   -0.4469
 6    -11.2886  -11.2886        4.7031    4.7031        0.2876    0.2876
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4766    0.0000        0.1776   -0.3835       -6.4036   -6.2708
 2     -0.1070    0.3835        0.1476   -0.5958        5.0485    5.1504
 3      6.2939    6.2708      -19.9134  -20.2019        0.8049    0.5958
 4      0.9432    0.5958       -0.0760    0.0000        5.5383    6.2708
 5     14.1915   15.0515       -5.8475   -6.2708        0.4924   -0.3835
 6     -0.4371   -0.5958        0.3780    0.3835       -0.4826    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.7531    0.0000        9.7189    9.8409       19.4111   19.2742
 2    -11.6236   -9.8409      -20.0253  -20.6618       17.2765   17.0497
 3    -19.2323  -19.2742       14.5655   13.5762       18.8401   20.6618
 4     21.4577   20.6618       -0.4614    0.0000      -20.6567  -19.2742
 5    -30.0759  -30.6260       19.0451   19.2742       10.1435    9.8409
 6    -22.0154  -20.6618       -9.2030   -9.8409        1.0463    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.5774    1.3697       14.3085   14.7860      -33.3730  -32.6405
 2     31.8815   29.9210       24.3834   25.8117      -34.7491  -32.6405
 3     31.5314   29.9210       13.2563   14.7860      -50.5023  -47.8009
 4    -12.7981  -11.0257      -28.5476  -28.5513       16.2468   16.4414
 5    -15.2421  -15.1604       29.4071   28.5899       27.1150   28.5513
 6    -43.7750  -45.0313       14.5182   15.1604       11.3348   11.0257
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.7064    0.0022    0.0031    0.0038    0.9987    9.8467
 Low frequencies ---   70.4698   93.1565  203.5368
 Diagonal vibrational polarizability:
       32.1487654      17.1374564      15.1913916
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.4663                93.1553               203.5364
 Red. masses --      7.2769                 6.2202                 4.3934
 Frc consts  --      0.0213                 0.0318                 0.1072
 IR Inten    --      1.9776                 4.7155                 1.7073
 RamAct Fr= 1--      1.4882                 0.8058                 0.7721
  Dep-P Fr= 1--      0.7389                 0.7249                 0.0880
  Dep-U Fr= 1--      0.8499                 0.8405                 0.1618
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0139
 Beta2  Fr= 1--      0.2108                 0.1129                 0.0208
 AlphaG Fr= 1--     -0.0002                -0.0012                 0.0079
 Gamma2 Fr= 1--      0.4942                 0.3651                -0.2239
 Delta2 Fr= 1--      0.2152                 0.1567                -0.0539
 Raman1 Fr= 1--       5.953                  3.223                  3.088
 ROA1   Fr= 1--      54.329                 40.063                -23.217
 CID1   Fr= 1--       9.127                 12.430                 -7.518
 Raman2 Fr= 1--       2.530                  1.355                  0.250
 ROA2   Fr= 1--      10.138                  7.509                 -4.941
 CID2   Fr= 1--       4.008                  5.544                -19.782
 Raman3 Fr= 1--       5.059                  2.709                  0.500
 ROA3   Fr= 1--      54.329                 40.063                -23.217
 CID3   Fr= 1--      10.739                 14.789                -46.476
 RC180  Fr= 1--       0.700                  0.681                 -0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.10  -0.03    -0.02   0.17   0.04     0.06  -0.11   0.13
     2  16     0.04   0.10  -0.10     0.21  -0.16  -0.03     0.20   0.11   0.01
     3   6    -0.00  -0.05   0.07     0.02   0.08   0.09    -0.02   0.01   0.04
     4   7    -0.03  -0.01   0.12     0.10   0.12   0.15    -0.23  -0.10  -0.15
     5   6     0.02  -0.03   0.06    -0.13   0.02  -0.03    -0.05  -0.00   0.03
     6   8     0.26   0.02   0.32    -0.23   0.02  -0.06    -0.12  -0.01  -0.04
     7   8    -0.30  -0.07  -0.28    -0.20  -0.05  -0.13    -0.05  -0.01   0.03
     8   1    -0.05  -0.09   0.10     0.05  -0.02   0.09     0.07   0.18  -0.04
     9   1    -0.01  -0.17  -0.14    -0.12   0.29   0.24     0.15  -0.21  -0.04
    10   1    -0.03  -0.17   0.05    -0.08   0.30  -0.20     0.01  -0.24   0.24
    11   1    -0.37  -0.09  -0.30    -0.08  -0.01  -0.04    -0.08  -0.02  -0.02
    12   1    -0.16   0.10   0.24     0.10   0.22   0.15    -0.25  -0.37  -0.12
    13   1     0.19  -0.02   0.17     0.17   0.10   0.20    -0.39  -0.04  -0.28
    14   1     0.07   0.18  -0.26     0.30  -0.22   0.31     0.28   0.21  -0.12
                      4                      5                      6
                      A                      A                      A
 Frequencies --    275.5753               308.5053               355.3052
 Red. masses --      2.1175                 1.3259                 1.9779
 Frc consts  --      0.0947                 0.0744                 0.1471
 IR Inten    --     22.5871                21.2824                 1.7027
 RamAct Fr= 1--      0.1890                 1.0244                 0.2590
  Dep-P Fr= 1--      0.7393                 0.4733                 0.5370
  Dep-U Fr= 1--      0.8501                 0.6425                 0.6987
 Alpha2 Fr= 1--      0.0000                 0.0057                 0.0011
 Beta2  Fr= 1--      0.0268                 0.1097                 0.0302
 AlphaG Fr= 1--     -0.0001                 0.0004                -0.0016
 Gamma2 Fr= 1--     -0.1836                -0.0037                -0.1466
 Delta2 Fr= 1--     -0.1366                 0.0759                -0.0818
 Raman1 Fr= 1--       0.756                  4.098                  1.036
 ROA1   Fr= 1--     -21.996                  2.073                -16.694
 CID1   Fr= 1--     -29.089                  0.506                -16.115
 Raman2 Fr= 1--       0.321                  1.316                  0.362
 ROA2   Fr= 1--      -3.313                 -0.696                 -2.865
 CID2   Fr= 1--     -10.307                 -0.529                 -7.915
 Raman3 Fr= 1--       0.643                  2.633                  0.724
 ROA3   Fr= 1--     -21.996                  2.073                -16.694
 CID3   Fr= 1--     -34.217                  0.787                -23.063
 RC180  Fr= 1--       0.700                  0.285                  0.397
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.12   0.04    -0.04   0.07   0.02     0.02  -0.06  -0.01
     2  16     0.04   0.04  -0.01    -0.01  -0.01   0.02    -0.03  -0.01   0.00
     3   6    -0.02  -0.07   0.04    -0.02  -0.02   0.01     0.02   0.02   0.07
     4   7    -0.01  -0.10  -0.02     0.02  -0.05  -0.05     0.18  -0.06  -0.04
     5   6     0.01  -0.05   0.00    -0.00  -0.03   0.01    -0.00   0.04   0.06
     6   8     0.13  -0.07  -0.06     0.04  -0.05  -0.03    -0.03   0.02  -0.01
     7   8    -0.05   0.09   0.01    -0.03   0.05   0.04    -0.11   0.08  -0.02
     8   1     0.00  -0.04   0.02    -0.01  -0.01  -0.00    -0.06   0.07   0.09
     9   1    -0.29   0.21   0.20    -0.09   0.12   0.11     0.10  -0.10  -0.09
    10   1    -0.02   0.30  -0.13    -0.04   0.15  -0.08    -0.04  -0.15   0.07
    11   1    -0.14   0.08   0.09    -0.17   0.03   0.02    -0.02   0.12   0.20
    12   1     0.08  -0.22  -0.11    -0.14   0.07   0.11     0.53  -0.35  -0.39
    13   1    -0.16  -0.08  -0.09     0.34  -0.00  -0.05    -0.38  -0.02  -0.22
    14   1    -0.34  -0.38   0.48     0.57   0.50  -0.38     0.08   0.12  -0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    373.1385               497.8906               535.9470
 Red. masses --      1.4188                 3.9946                 5.8759
 Frc consts  --      0.1164                 0.5834                 0.9944
 IR Inten    --     11.6605                 6.3859                 2.0086
 RamAct Fr= 1--      0.5793                 2.2577                 3.5095
  Dep-P Fr= 1--      0.3037                 0.5358                 0.2608
  Dep-U Fr= 1--      0.4660                 0.6978                 0.4137
 Alpha2 Fr= 1--      0.0059                 0.0093                 0.0404
 Beta2  Fr= 1--      0.0450                 0.2626                 0.2420
 AlphaG Fr= 1--      0.0102                 0.0183                -0.0194
 Gamma2 Fr= 1--     -0.4191                -0.8313                 0.5292
 Delta2 Fr= 1--     -0.0881                -0.1657                 0.1379
 Raman1 Fr= 1--       2.317                  9.031                 14.038
 ROA1   Fr= 1--     -43.054                -85.107                 55.213
 CID1   Fr= 1--     -18.579                 -9.424                  3.933
 Raman2 Fr= 1--       0.540                  3.151                  2.903
 ROA2   Fr= 1--      -9.354                -18.626                 11.597
 CID2   Fr= 1--     -17.326                 -5.912                  3.994
 Raman3 Fr= 1--       1.080                  6.301                  5.807
 ROA3   Fr= 1--     -43.054                -85.107                 55.213
 CID3   Fr= 1--     -39.873                -13.506                  9.508
 RC180  Fr= 1--      -0.068                  0.396                 -0.173
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06  -0.01     0.08   0.06  -0.02     0.07   0.06  -0.02
     2  16     0.01   0.00  -0.01    -0.08  -0.03  -0.07    -0.03  -0.02  -0.02
     3   6     0.00   0.01   0.00     0.19   0.04   0.24     0.01   0.25   0.09
     4   7     0.06  -0.03  -0.08    -0.09  -0.14   0.01    -0.06   0.25  -0.06
     5   6    -0.02   0.00   0.02     0.18   0.09   0.15     0.03  -0.10   0.20
     6   8    -0.04  -0.00  -0.00    -0.10   0.06  -0.07     0.18  -0.23  -0.19
     7   8    -0.05   0.08   0.05     0.03  -0.03  -0.09    -0.13  -0.14   0.08
     8   1    -0.01   0.04   0.00     0.02   0.18   0.28    -0.12   0.44   0.10
     9   1     0.15  -0.14  -0.13    -0.17   0.13   0.10     0.32  -0.07  -0.24
    10   1    -0.00  -0.19   0.12     0.08   0.21  -0.22    -0.10  -0.23   0.18
    11   1    -0.26   0.05   0.00    -0.02  -0.05  -0.19     0.03  -0.12   0.07
    12   1    -0.19   0.21   0.17    -0.40  -0.33   0.33    -0.05   0.13  -0.06
    13   1     0.68   0.06  -0.09     0.17   0.00  -0.16    -0.17   0.26  -0.09
    14   1    -0.30  -0.27   0.19    -0.12  -0.04  -0.11    -0.07  -0.06   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    569.0333               664.9503               761.5959
 Red. masses --      3.6221                 4.0267                 5.8503
 Frc consts  --      0.6910                 1.0490                 1.9993
 IR Inten    --      3.7325                 0.6373                 6.8993
 RamAct Fr= 1--      2.6465                16.1513                 5.9987
  Dep-P Fr= 1--      0.3919                 0.1841                 0.0590
  Dep-U Fr= 1--      0.5631                 0.3109                 0.1115
 Alpha2 Fr= 1--      0.0202                 0.2287                 0.1160
 Beta2  Fr= 1--      0.2484                 0.8370                 0.1114
 AlphaG Fr= 1--      0.0149                -0.1689                 0.0366
 Gamma2 Fr= 1--      0.3430                 1.4547                 0.2861
 Delta2 Fr= 1--     -0.3015                 0.2751                 0.2332
 Raman1 Fr= 1--      10.586                 64.605                 23.995
 ROA1   Fr= 1--      23.277                148.459                 34.929
 CID1   Fr= 1--       2.199                  2.298                  1.456
 Raman2 Fr= 1--       2.980                 10.044                  1.337
 ROA2   Fr= 1--      10.644                 32.713                  5.002
 CID2   Fr= 1--       3.571                  3.257                  3.740
 Raman3 Fr= 1--       5.961                 20.088                  2.675
 ROA3   Fr= 1--      23.277                148.459                 34.929
 CID3   Fr= 1--       3.905                  7.391                 13.060
 RC180  Fr= 1--       0.126                 -0.378                 -0.777
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.07  -0.16     0.09   0.09   0.35    -0.17  -0.04   0.10
     2  16    -0.01  -0.01   0.01    -0.09  -0.04  -0.15    -0.00   0.01  -0.01
     3   6     0.16  -0.06  -0.11     0.09   0.02   0.02    -0.03  -0.02  -0.06
     4   7    -0.08   0.05   0.03     0.02   0.02  -0.01    -0.02   0.14  -0.04
     5   6    -0.00  -0.11  -0.01    -0.09  -0.05  -0.13     0.35  -0.16   0.11
     6   8    -0.08  -0.10   0.10     0.02  -0.01   0.06    -0.18  -0.18   0.09
     7   8    -0.10   0.13   0.08     0.03   0.03   0.03     0.10   0.16  -0.20
     8   1     0.20  -0.11  -0.11     0.49  -0.04  -0.15    -0.21   0.21  -0.03
     9   1     0.12   0.16  -0.01     0.21  -0.11   0.03    -0.14  -0.10   0.01
    10   1     0.32   0.21  -0.28     0.10  -0.07   0.56    -0.09  -0.07   0.23
    11   1    -0.29   0.13   0.23    -0.06   0.02   0.00    -0.23   0.17   0.26
    12   1    -0.13  -0.06   0.08    -0.02  -0.09   0.04     0.10   0.26  -0.16
    13   1    -0.40  -0.11   0.21    -0.11   0.01  -0.01    -0.04   0.08   0.06
    14   1    -0.12  -0.00  -0.20     0.24   0.05   0.22     0.24   0.04   0.34
                     13                     14                     15
                      A                      A                      A
 Frequencies --    785.0366               836.5683               854.0571
 Red. masses --      1.4107                 2.6045                 1.3488
 Frc consts  --      0.5122                 1.0739                 0.5797
 IR Inten    --      0.6145                35.0444               107.8109
 RamAct Fr= 1--      7.5190                 3.5776                 0.9549
  Dep-P Fr= 1--      0.1171                 0.3711                 0.3810
  Dep-U Fr= 1--      0.2097                 0.5414                 0.5518
 Alpha2 Fr= 1--      0.1262                 0.0293                 0.0076
 Beta2  Fr= 1--      0.2627                 0.3228                 0.0878
 AlphaG Fr= 1--      0.1148                -0.0776                 0.0481
 Gamma2 Fr= 1--     -0.3416                -1.8375                -0.5507
 Delta2 Fr= 1--     -0.1152                -0.3977                -0.3126
 Raman1 Fr= 1--      30.076                 14.310                  3.820
 ROA1   Fr= 1--     -36.484               -189.129                -62.868
 CID1   Fr= 1--      -1.213                -13.216                -16.460
 Raman2 Fr= 1--       3.153                  3.874                  1.054
 ROA2   Fr= 1--      -7.278                -40.919                -10.716
 CID2   Fr= 1--      -2.308                -10.564                -10.168
 Raman3 Fr= 1--       6.306                  7.747                  2.108
 ROA3   Fr= 1--     -36.484               -189.129                -62.868
 CID3   Fr= 1--      -5.786                -24.413                -29.828
 RC180  Fr= 1--      -0.581                  0.083                  0.104
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.12   0.12     0.06  -0.01   0.08     0.04   0.03  -0.01
     2  16     0.00   0.00  -0.02    -0.02   0.01  -0.03    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.01    -0.03  -0.12  -0.18    -0.03   0.06   0.02
     4   7     0.01   0.07  -0.04    -0.01  -0.03  -0.01    -0.08  -0.06   0.05
     5   6    -0.00   0.00   0.01     0.08   0.11   0.18    -0.02  -0.03  -0.05
     6   8     0.00  -0.00  -0.00     0.00   0.07  -0.07     0.01  -0.02   0.03
     7   8    -0.01  -0.00   0.01    -0.11  -0.06   0.02     0.00   0.01  -0.05
     8   1     0.07   0.08  -0.06    -0.13   0.03  -0.15    -0.02   0.07   0.01
     9   1    -0.19   0.14   0.53     0.03   0.01   0.11     0.09   0.03  -0.02
    10   1    -0.05   0.19  -0.36     0.34   0.17   0.12    -0.00  -0.00  -0.01
    11   1     0.05   0.01   0.05     0.39   0.05   0.30     0.48   0.17   0.64
    12   1     0.06   0.13  -0.08     0.00   0.28  -0.03     0.19   0.04  -0.20
    13   1     0.05   0.06  -0.01     0.05  -0.24   0.32     0.39   0.14  -0.19
    14   1    -0.38  -0.08  -0.51     0.24   0.05   0.33    -0.06  -0.01  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --    898.3840               971.3966              1049.6172
 Red. masses --      1.4575                 1.5020                 1.8482
 Frc consts  --      0.6931                 0.8350                 1.1997
 IR Inten    --     78.0786                33.5542                30.8994
 RamAct Fr= 1--      1.5197                 2.9211                 1.1226
  Dep-P Fr= 1--      0.7440                 0.7492                 0.5557
  Dep-U Fr= 1--      0.8532                 0.8566                 0.7144
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0042
 Beta2  Fr= 1--      0.2161                 0.4170                 0.1337
 AlphaG Fr= 1--      0.0007                -0.0001                -0.0117
 Gamma2 Fr= 1--     -1.2249                 2.5691                -0.9655
 Delta2 Fr= 1--     -0.4962                 0.7601                 0.1092
 Raman1 Fr= 1--       6.079                 11.684                  4.490
 ROA1   Fr= 1--    -133.471                270.956                -89.199
 CID1   Fr= 1--     -21.956                 23.190                -19.864
 Raman2 Fr= 1--       2.593                  5.004                  1.604
 ROA2   Fr= 1--     -25.428                 55.577                -24.046
 CID2   Fr= 1--      -9.805                 11.106                -14.991
 Raman3 Fr= 1--       5.187                 10.009                  3.208
 ROA3   Fr= 1--    -133.471                270.956                -89.199
 CID3   Fr= 1--     -25.733                 27.072                -27.805
 RC180  Fr= 1--       0.706                  0.713                  0.429
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03  -0.03    -0.02  -0.12  -0.04    -0.14   0.06   0.01
     2  16     0.00   0.00   0.01    -0.02   0.01   0.00     0.02  -0.01   0.02
     3   6     0.08  -0.02   0.06     0.10  -0.02   0.04     0.16   0.01  -0.09
     4   7     0.06   0.06  -0.10    -0.05   0.07   0.00    -0.05  -0.03   0.04
     5   6    -0.03  -0.00  -0.03    -0.02   0.00  -0.04     0.05   0.02   0.03
     6   8     0.01   0.01   0.02     0.01   0.01   0.00    -0.00   0.03  -0.02
     7   8    -0.02   0.00  -0.01    -0.03  -0.02   0.04    -0.05  -0.02   0.04
     8   1     0.10  -0.06   0.05     0.15  -0.06   0.02     0.55   0.04  -0.28
     9   1    -0.16  -0.06  -0.07    -0.37  -0.07   0.07    -0.21  -0.17  -0.33
    10   1    -0.10  -0.06  -0.00     0.20   0.13  -0.16    -0.29  -0.17   0.16
    11   1     0.46   0.14   0.47    -0.06  -0.02  -0.00    -0.03  -0.01   0.01
    12   1    -0.46  -0.08   0.39     0.21  -0.01  -0.23     0.16   0.05  -0.16
    13   1    -0.20  -0.11   0.14     0.21   0.28  -0.29     0.12  -0.02   0.04
    14   1     0.03  -0.00   0.08     0.37   0.09   0.50    -0.20  -0.04  -0.32
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1107.3356              1164.9029              1216.3142
 Red. masses --      1.8300                 1.4600                 2.4714
 Frc consts  --      1.3221                 1.1673                 2.1542
 IR Inten    --     13.5247                 7.8250                15.5110
 RamAct Fr= 1--      1.6743                 2.2480                 4.1592
  Dep-P Fr= 1--      0.4417                 0.6068                 0.4796
  Dep-U Fr= 1--      0.6128                 0.7553                 0.6483
 Alpha2 Fr= 1--      0.0106                 0.0059                 0.0225
 Beta2  Fr= 1--      0.1710                 0.2830                 0.4494
 AlphaG Fr= 1--      0.0122                -0.0225                 0.0289
 Gamma2 Fr= 1--      0.5468                 1.8275                -2.1005
 Delta2 Fr= 1--     -0.1946                 0.3566                -0.6747
 Raman1 Fr= 1--       6.697                  8.992                 16.637
 ROA1   Fr= 1--      46.269                186.850               -223.241
 CID1   Fr= 1--       6.909                 20.780                -13.418
 Raman2 Fr= 1--       2.052                  3.396                  5.393
 ROA2   Fr= 1--      14.681                 41.006                -45.014
 CID2   Fr= 1--       7.155                 12.076                 -8.347
 Raman3 Fr= 1--       4.104                  6.791                 10.786
 ROA3   Fr= 1--      46.269                186.850               -223.241
 CID3   Fr= 1--      11.275                 27.514                -20.697
 RC180  Fr= 1--       0.226                  0.511                  0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.09  -0.02     0.05   0.03  -0.01    -0.02  -0.02  -0.00
     2  16    -0.01   0.02  -0.00     0.00  -0.01   0.01     0.00  -0.00   0.00
     3   6     0.04   0.18  -0.06    -0.01  -0.07   0.11     0.02   0.02  -0.08
     4   7     0.02  -0.11   0.05    -0.02   0.00  -0.06     0.01   0.01   0.02
     5   6    -0.05  -0.02   0.00    -0.09   0.00   0.02    -0.18   0.03   0.22
     6   8     0.01  -0.04   0.01     0.01  -0.02   0.01     0.00  -0.10   0.01
     7   8     0.02   0.03  -0.01     0.04   0.03  -0.03     0.06   0.10  -0.09
     8   1     0.15   0.52  -0.19     0.04   0.42  -0.03     0.20  -0.42  -0.05
     9   1     0.05   0.08   0.24    -0.40  -0.16  -0.27    -0.04  -0.03  -0.02
    10   1    -0.23  -0.05  -0.30     0.16   0.05   0.08     0.19   0.08   0.08
    11   1     0.02   0.01  -0.07     0.09   0.01  -0.15     0.49   0.08  -0.44
    12   1    -0.03   0.08   0.09     0.17   0.45  -0.25    -0.05  -0.26   0.09
    13   1    -0.08  -0.31   0.33    -0.00  -0.23   0.31     0.11   0.18  -0.23
    14   1     0.20   0.04   0.33    -0.03   0.00  -0.09    -0.03  -0.01  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1239.5727              1281.8524              1327.7968
 Red. masses --      1.3059                 1.5389                 1.2748
 Frc consts  --      1.1822                 1.4898                 1.3242
 IR Inten    --      2.1128                 5.0482                28.5637
 RamAct Fr= 1--      5.3250                 2.9160                 4.8691
  Dep-P Fr= 1--      0.7489                 0.7494                 0.3185
  Dep-U Fr= 1--      0.8564                 0.8568                 0.4831
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0472
 Beta2  Fr= 1--      0.7601                 0.4164                 0.3921
 AlphaG Fr= 1--      0.0003                -0.0014                 0.0074
 Gamma2 Fr= 1--     -1.8817                 1.9851                -1.2132
 Delta2 Fr= 1--      1.1819                -0.5684                -0.5167
 Raman1 Fr= 1--      21.300                 11.664                 19.476
 ROA1   Fr= 1--    -142.819                172.384               -133.005
 CID1   Fr= 1--      -6.705                 14.779                 -6.829
 Raman2 Fr= 1--       9.121                  4.997                  4.705
 ROA2   Fr= 1--     -54.615                 52.191                -24.984
 CID2   Fr= 1--      -5.988                 10.445                 -5.310
 Raman3 Fr= 1--      18.241                  9.993                  9.410
 ROA3   Fr= 1--    -142.819                172.384               -133.005
 CID3   Fr= 1--      -7.829                 17.250                -14.134
 RC180  Fr= 1--       0.713                  0.714                 -0.034
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.02   0.02    -0.11   0.00  -0.03    -0.07  -0.04  -0.08
     2  16     0.01  -0.01   0.00     0.00   0.00  -0.01     0.00  -0.00  -0.00
     3   6     0.07   0.07  -0.07     0.14  -0.08   0.04    -0.08   0.02   0.07
     4   7     0.01  -0.02   0.03    -0.05   0.01  -0.03     0.01  -0.00  -0.00
     5   6    -0.01  -0.01  -0.05    -0.05   0.00  -0.00     0.02   0.00   0.01
     6   8     0.01  -0.01   0.01     0.00  -0.00   0.01     0.00   0.01  -0.01
     7   8    -0.01   0.00   0.02     0.01   0.01   0.00     0.01  -0.02  -0.01
     8   1    -0.52   0.28   0.16    -0.27   0.01   0.22     0.56   0.07  -0.25
     9   1    -0.22  -0.10  -0.08     0.69   0.26   0.30     0.25   0.15   0.18
    10   1     0.54   0.24   0.33    -0.03  -0.06   0.14     0.55   0.19   0.28
    11   1    -0.02  -0.00   0.00     0.09   0.01  -0.12    -0.17  -0.02   0.17
    12   1    -0.06  -0.14   0.10     0.15   0.21  -0.22    -0.03   0.04   0.04
    13   1    -0.01   0.01  -0.02     0.07  -0.10   0.14    -0.06  -0.01   0.00
    14   1    -0.11  -0.02  -0.19     0.00   0.00   0.00    -0.05  -0.01  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1395.6630              1415.3336              1456.0159
 Red. masses --      1.3078                 1.6732                 1.0892
 Frc consts  --      1.5009                 1.9748                 1.3605
 IR Inten    --      9.7749               393.7293                18.6735
 RamAct Fr= 1--      4.4519                 3.1222                 6.5099
  Dep-P Fr= 1--      0.7491                 0.1497                 0.7116
  Dep-U Fr= 1--      0.8565                 0.2604                 0.8315
 Alpha2 Fr= 1--      0.0001                 0.0483                 0.0043
 Beta2  Fr= 1--      0.6355                 0.1355                 0.9022
 AlphaG Fr= 1--      0.0013                -0.0027                -0.0001
 Gamma2 Fr= 1--      2.2283                 0.4754                -0.0520
 Delta2 Fr= 1--     -0.5396                 0.3834                -0.1358
 Raman1 Fr= 1--      17.808                 12.489                 26.040
 ROA1   Fr= 1--     196.650                 57.907                 -9.337
 CID1   Fr= 1--      11.043                  4.637                 -0.359
 Raman2 Fr= 1--       7.627                  1.626                 10.826
 ROA2   Fr= 1--      57.796                  8.343                 -0.162
 CID2   Fr= 1--       7.578                  5.130                 -0.015
 Raman3 Fr= 1--      15.253                  3.252                 21.652
 ROA3   Fr= 1--     196.650                 57.907                 -9.337
 CID3   Fr= 1--      12.893                 17.805                 -0.431
 RC180  Fr= 1--       0.713                 -0.479                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.02     0.05   0.02  -0.06
     2  16    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.02  -0.14  -0.01    -0.05   0.04   0.04     0.00  -0.01  -0.02
     4   7     0.03   0.04   0.05     0.00  -0.02  -0.01     0.00   0.00   0.01
     5   6    -0.01   0.00  -0.01     0.13  -0.00  -0.10    -0.01  -0.01   0.01
     6   8    -0.00  -0.00   0.01    -0.02  -0.04   0.03     0.00   0.01  -0.00
     7   8    -0.01   0.01   0.01    -0.09   0.04   0.07     0.00  -0.00  -0.00
     8   1     0.02   0.75  -0.25     0.11  -0.12   0.01    -0.04   0.05  -0.02
     9   1     0.18   0.02  -0.02    -0.04   0.04   0.06    -0.41   0.32   0.47
    10   1    -0.09  -0.02  -0.07     0.11   0.00   0.09    -0.11  -0.49   0.49
    11   1     0.18   0.02  -0.14     0.69   0.07  -0.63    -0.02  -0.00   0.02
    12   1    -0.09  -0.26   0.18     0.02   0.13  -0.03    -0.01  -0.03   0.02
    13   1     0.03   0.25  -0.28    -0.01  -0.04   0.01     0.01   0.03  -0.03
    14   1     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.00   0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1651.5691              1833.7569              2672.3617
 Red. masses --      1.0930                 9.6526                 1.0383
 Frc consts  --      1.7566                19.1239                 4.3687
 IR Inten    --     34.5368               275.0958                 0.4201
 RamAct Fr= 1--      3.5462                 9.7372               105.2374
  Dep-P Fr= 1--      0.7437                 0.2789                 0.1646
  Dep-U Fr= 1--      0.8530                 0.4362                 0.2826
 Alpha2 Fr= 1--      0.0004                 0.1063                 1.5675
 Beta2  Fr= 1--      0.5042                 0.7079                 4.9570
 AlphaG Fr= 1--     -0.0037                 0.1521                 0.3802
 Gamma2 Fr= 1--      0.3950                 1.6911                 4.4829
 Delta2 Fr= 1--     -0.1928                 0.4613                 2.7040
 Raman1 Fr= 1--      14.185                 38.949                420.950
 ROA1   Fr= 1--      31.748                177.112                516.887
 CID1   Fr= 1--       2.238                  4.547                  1.228
 Raman2 Fr= 1--       6.050                  8.494                 59.484
 ROA2   Fr= 1--      11.023                 36.897                 85.957
 CID2   Fr= 1--       1.822                  4.344                  1.445
 Raman3 Fr= 1--      12.100                 16.989                118.968
 ROA3   Fr= 1--      31.748                177.112                516.887
 CID3   Fr= 1--       2.624                 10.425                  4.345
 RC180  Fr= 1--       0.706                 -0.128                 -0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     2  16     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.03  -0.01
     3   6     0.03  -0.00  -0.01     0.01  -0.04  -0.00     0.00   0.00   0.00
     4   7     0.02  -0.07   0.03     0.00  -0.01   0.00    -0.00   0.00  -0.00
     5   6    -0.01  -0.00   0.01     0.03   0.70  -0.17     0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00    -0.02  -0.43   0.10     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.02  -0.07   0.00    -0.00  -0.00   0.00
     8   1    -0.03  -0.03   0.02    -0.01   0.02  -0.00     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.05   0.04   0.02    -0.00  -0.00   0.00
    10   1    -0.02  -0.01  -0.01    -0.07  -0.07   0.03     0.01  -0.01  -0.01
    11   1    -0.01  -0.00   0.03    -0.39   0.02   0.34    -0.00  -0.00   0.00
    12   1    -0.13   0.70   0.13     0.00   0.03  -0.01     0.00  -0.00   0.00
    13   1    -0.41   0.24  -0.49    -0.03  -0.02   0.01     0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.01  -0.01  -0.03    -0.53   0.80   0.28
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3029.0107              3076.3473              3138.2037
 Red. masses --      1.0823                 1.0626                 1.1031
 Frc consts  --      5.8507                 5.9248                 6.4009
 IR Inten    --     10.0562                13.7054                 1.1267
 RamAct Fr= 1--    119.6847               134.8886                61.2778
  Dep-P Fr= 1--      0.2748                 0.0764                 0.5850
  Dep-U Fr= 1--      0.4311                 0.1419                 0.7382
 Alpha2 Fr= 1--      1.3219                 2.5011                 0.1890
 Beta2  Fr= 1--      8.5999                 3.1910                 7.5391
 AlphaG Fr= 1--      0.1812                -0.3591                -0.4266
 Gamma2 Fr= 1--     -0.2782                 4.8561                -6.7594
 Delta2 Fr= 1--      0.5269                 0.0096                -0.4695
 Raman1 Fr= 1--     478.739                539.554                245.111
 ROA1   Fr= 1--      -9.848                466.496               -663.921
 CID1   Fr= 1--      -0.021                  0.865                 -2.709
 Raman2 Fr= 1--     103.198                 38.292                 90.469
 ROA2   Fr= 1--     -10.893                116.470               -158.469
 CID2   Fr= 1--      -0.106                  3.042                 -1.752
 Raman3 Fr= 1--     206.397                 76.585                180.938
 ROA3   Fr= 1--      -9.848                466.496               -663.921
 CID3   Fr= 1--      -0.048                  6.091                 -3.669
 RC180  Fr= 1--      -0.138                 -0.716                  0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.04  -0.02  -0.06     0.02  -0.09   0.02
     2  16     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.03  -0.02  -0.07    -0.00  -0.00  -0.01     0.00  -0.00   0.00
     4   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1     0.41   0.22   0.87     0.05   0.03   0.10    -0.00  -0.00  -0.01
     9   1    -0.01   0.05  -0.03     0.03  -0.40   0.24    -0.04   0.74  -0.48
    10   1     0.05  -0.07  -0.05    -0.47   0.60   0.43    -0.25   0.31   0.23
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    12   1    -0.01  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    13   1     0.00  -0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3440.0024              3467.0433              3575.8782
 Red. masses --      1.0631                 1.0553                 1.0886
 Frc consts  --      7.4122                 7.4739                 8.2015
 IR Inten    --    223.0207                29.2497                15.1602
 RamAct Fr= 1--     79.7898                49.0653                67.9871
  Dep-P Fr= 1--      0.0499                 0.0918                 0.3927
  Dep-U Fr= 1--      0.0950                 0.1681                 0.5639
 Alpha2 Fr= 1--      1.5766                 0.8765                 0.5169
 Beta2  Fr= 1--      1.2633                 1.3747                 6.3898
 AlphaG Fr= 1--      0.1881                -0.5005                 0.3769
 Gamma2 Fr= 1--     -1.6782                 8.1230                -2.5188
 Delta2 Fr= 1--     -0.4346                 2.7709                -3.0580
 Raman1 Fr= 1--     319.159                196.261                271.948
 ROA1   Fr= 1--    -175.013                868.471               -339.662
 CID1   Fr= 1--      -0.548                  4.425                 -1.249
 Raman2 Fr= 1--      15.160                 16.496                 76.677
 ROA2   Fr= 1--     -36.799                172.784                -35.987
 CID2   Fr= 1--      -2.427                 10.474                 -0.469
 Raman3 Fr= 1--      30.320                 32.992                153.355
 ROA3   Fr= 1--    -175.013                868.471               -339.662
 CID3   Fr= 1--      -5.772                 26.324                 -2.215
 RC180  Fr= 1--      -0.810                 -0.664                  0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2  16     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   7     0.01  -0.01   0.01    -0.04   0.02  -0.03    -0.01  -0.06  -0.05
     5   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   8     0.01  -0.06   0.01     0.00  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.01
     9   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   1    -0.13   0.93  -0.13    -0.04   0.30  -0.04     0.00  -0.02   0.00
    12   1    -0.19  -0.01  -0.20     0.60   0.03   0.63     0.28  -0.00   0.26
    13   1    -0.01   0.11   0.08     0.02  -0.31  -0.20    -0.10   0.77   0.50
    14   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   584.363651138.252301369.74446
           X            0.99958   0.02619  -0.01219
           Y           -0.02594   0.99946   0.02040
           Z            0.01272  -0.02008   0.99972
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14822     0.07609     0.06323
 Rotational constants (GHZ):           3.08839     1.58554     1.31758
 Zero-point vibrational energy     284670.1 (Joules/Mol)
                                   68.03778 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    101.39   134.03   292.84   396.49   443.87
          (Kelvin)            511.21   536.86   716.35   771.11   818.71
                              956.72  1095.77  1129.49  1203.64  1228.80
                             1292.57  1397.62  1510.17  1593.21  1676.04
                             1750.00  1783.47  1844.30  1910.40  2008.05
                             2036.35  2094.88  2376.24  2638.37  3844.93
                             4358.07  4426.18  4515.18  4949.40  4988.30
                             5144.89
 
 Zero-point correction=                           0.108425 (Hartree/Particle)
 Thermal correction to Energy=                    0.116188
 Thermal correction to Enthalpy=                  0.117132
 Thermal correction to Gibbs Free Energy=         0.075757
 Sum of electronic and zero-point Energies=           -722.021435
 Sum of electronic and thermal Energies=              -722.013672
 Sum of electronic and thermal Enthalpies=            -722.012728
 Sum of electronic and thermal Free Energies=         -722.054102
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.909             27.928             87.080
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.301
 Vibrational             71.131             21.966             18.493
 Vibration     1          0.598              1.968              4.140
 Vibration     2          0.602              1.954              3.593
 Vibration     3          0.639              1.835              2.101
 Vibration     4          0.677              1.719              1.561
 Vibration     5          0.698              1.658              1.370
 Vibration     6          0.731              1.564              1.143
 Vibration     7          0.745              1.527              1.067
 Vibration     8          0.853              1.255              0.663
 Vibration     9          0.891              1.171              0.574
 Vibration    10          0.925              1.098              0.506
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.142598D-34        -34.845886        -80.235618
 Total V=0       0.106208D+16         15.026156         34.599003
 Vib (Bot)       0.797534D-48        -48.098251       -110.750315
 Vib (Bot)    1  0.292664D+01          0.466369          1.073855
 Vib (Bot)    2  0.220589D+01          0.343583          0.791129
 Vib (Bot)    3  0.978319D+00         -0.009520         -0.021920
 Vib (Bot)    4  0.699292D+00         -0.155342         -0.357687
 Vib (Bot)    5  0.613462D+00         -0.212212         -0.488637
 Vib (Bot)    6  0.517473D+00         -0.286112         -0.658798
 Vib (Bot)    7  0.486864D+00         -0.312592         -0.719770
 Vib (Bot)    8  0.330716D+00         -0.480545         -1.106496
 Vib (Bot)    9  0.296748D+00         -0.527612         -1.214872
 Vib (Bot)   10  0.270726D+00         -0.567470         -1.306648
 Vib (V=0)       0.594007D+02          1.773791          4.084306
 Vib (V=0)    1  0.346904D+01          0.540210          1.243879
 Vib (V=0)    2  0.276184D+01          0.441199          1.015898
 Vib (V=0)    3  0.159868D+01          0.203763          0.469181
 Vib (V=0)    4  0.135966D+01          0.133429          0.307232
 Vib (V=0)    5  0.129141D+01          0.111065          0.255738
 Vib (V=0)    6  0.121957D+01          0.086206          0.198497
 Vib (V=0)    7  0.119788D+01          0.078413          0.180553
 Vib (V=0)    8  0.109948D+01          0.041186          0.094835
 Vib (V=0)    9  0.108143D+01          0.033998          0.078283
 Vib (V=0)   10  0.106859D+01          0.028810          0.066338
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.341685D+06          5.533626         12.741645
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3   33          3 3 3            2                            1      1      111 1 111 1 1 1                                     
     5   44          1 0 0            6                            8      6      443 3 222 1 1 0  9  88877   6  55 4   33 32 2       
     7   64          3 7 2            7                            3      5      519 2 841 6 0 5  7  95386   6  63 9   75 07 0   97  
     6   70          8 6 9            2                            4      2      656 8 206 5 7 0  1  84752   5  96 8   35 96 4   30  
 
     X   XX          X X X            X                            X      X      XXX X XXX X X X  X  XXXXX   X  XX X   XX XX X   XX  
          X                                                        X      X       X            X  X  XXX                             
          X                                                        X              X                  XX                              
          X                                                        X              X                  XX                              
          X                                                        X              X                   X                              
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000009784   -0.000012703    0.000024141
      2       16          -0.000010683   -0.000002410   -0.000007852
      3        6          -0.000005456    0.000026473   -0.000032166
      4        7           0.000020671   -0.000029716    0.000024212
      5        6           0.000059206    0.000058794   -0.000084195
      6        8          -0.000006378   -0.000036015    0.000030193
      7        8          -0.000061307   -0.000029170    0.000042898
      8        1          -0.000006865   -0.000003132    0.000005992
      9        1           0.000008251    0.000006710   -0.000006944
     10        1          -0.000004315    0.000003253   -0.000003995
     11        1           0.000014168    0.000002391    0.000005921
     12        1          -0.000015161    0.000009488    0.000002767
     13        1          -0.000004213    0.000012087    0.000001160
     14        1           0.000002297   -0.000006051   -0.000002131
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000084195 RMS     0.000026055
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.801316D+02  0.313538D+01 -0.191730D+00
      2   0.313538D+01  0.775564D+02 -0.297920D+00
      3  -0.191730D+00 -0.297920D+00  0.700307D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.553622D+00 -0.156852D+01 -0.379082D+01
      2  -0.177057D+02 -0.797124D+01 -0.310824D+02
      3   0.136317D+02  0.104206D+02  0.734175D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.660748D+02 -0.204887D+02 -0.362615D+02
      2   0.337223D+02  0.151657D+02  0.115394D+02
      3   0.323525D+02  0.532296D+01  0.247221D+02
      4  -0.132495D+01 -0.140727D+02 -0.128322D+02
      5  -0.240380D+02 -0.148570D+02 -0.439937D+02
      6  -0.258678D+01  0.860254D+01  0.134611D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.592722D+00 -0.122335D+01  0.241852D+01 -0.111836D+01  0.121596D+01
      2  -0.122335D+01  0.117751D+01  0.269632D+01  0.121596D+01  0.213800D+00
      3   0.241852D+01  0.269632D+01  0.483293D+01  0.273422D+01 -0.364491D+01
                 6             7             8             9            10 
      1   0.273422D+01  0.509545D+01  0.340754D+01  0.474373D+01 -0.967193D+01
      2  -0.364491D+01  0.340754D+01 -0.117836D+01  0.170112D+01  0.397383D+00
      3   0.287182D+01  0.474373D+01  0.170112D+01  0.290020D+01 -0.327267D+01
                11            12            13            14            15 
      1   0.397383D+00 -0.327267D+01  0.235700D+01 -0.461916D+01 -0.949955D+00
      2  -0.454488D+01 -0.823761D+00 -0.461916D+01  0.265071D+01  0.208011D+00
      3  -0.823761D+00 -0.491493D+01 -0.949955D+00  0.208011D+00  0.380194D+00
                16            17            18            19            20 
      1  -0.440565D+01 -0.188704D+01 -0.606778D+01  0.451523D+00  0.251465D+01
      2  -0.188704D+01  0.517973D+00 -0.876435D+00  0.251465D+01 -0.117909D+01
      3  -0.606778D+01 -0.876435D+00 -0.771340D+01 -0.185207D+01 -0.211356D+01
                21            22            23            24            25 
      1  -0.185207D+01  0.202527D+01 -0.187605D+01 -0.129998D+01 -0.304645D+01
      2  -0.211356D+01 -0.187605D+01 -0.327596D+00  0.160958D+01 -0.208250D+01
      3  -0.230160D+01 -0.129998D+01  0.160958D+01 -0.770718D+00 -0.366794D+01
                26            27            28            29            30 
      1  -0.208250D+01 -0.366794D+01  0.197880D+01  0.103767D+01  0.123652D+01
      2   0.532761D+00 -0.190342D+01  0.103767D+01  0.327877D+01  0.125678D+00
      3  -0.190342D+01 -0.468724D+01  0.123652D+01  0.125678D+00  0.146911D+01
                31            32            33            34            35 
      1   0.667472D+00  0.275487D+01 -0.167167D+00  0.212764D+01  0.590550D+00
      2   0.275487D+01 -0.271518D-01 -0.318080D+01  0.590550D+00 -0.315268D+01
      3  -0.167167D+00 -0.318080D+01  0.414081D-01  0.202075D+01  0.233642D+00
                36            37            38            39            40 
      1   0.202075D+01  0.122036D+01 -0.139800D+01  0.607045D+00 -0.831275D+00
      2   0.233642D+00 -0.139800D+01  0.180685D+01  0.785264D+00  0.836866D+00
      3  -0.546935D-01  0.607045D+00  0.785264D+00  0.957309D+00  0.860769D+00
                41            42            43            44            45 
      1   0.836866D+00  0.860769D+00 -0.834236D+00  0.131311D+01  0.896264D-01
      2   0.426170D+01 -0.221945D+01  0.131311D+01 -0.271901D+01  0.268122D+00
      3  -0.221945D+01 -0.358518D-01  0.896264D-01  0.268122D+00 -0.215324D+00
                46            47            48            49            50 
      1  -0.669159D+00 -0.273551D+01  0.620245D+00 -0.331627D+01  0.839391D+00
      2  -0.273551D+01  0.383628D+00 -0.497096D+00  0.839391D+00 -0.120839D+02
      3   0.620245D+00 -0.497096D+00 -0.260414D+00 -0.552379D-01  0.248868D+01
                51            52            53            54            55 
      1  -0.552379D-01  0.116609D+01 -0.512855D+00  0.170748D+00  0.550405D+01
      2   0.248868D+01 -0.512855D+00  0.171845D+01 -0.287672D+01  0.302651D+00
      3  -0.230981D+01  0.170748D+00 -0.287672D+01  0.203942D+01 -0.237808D+01
                56            57            58            59            60 
      1   0.302651D+00 -0.237808D+01 -0.210210D+01  0.291379D+01  0.833071D+00
      2   0.933353D+00 -0.141177D+00  0.291379D+01 -0.323672D+01 -0.662435D+00
      3  -0.141177D+00  0.104678D+01  0.833071D+00 -0.662435D+00 -0.583547D+00
                61            62            63            64            65 
      1  -0.166633D+01 -0.222099D+00  0.227553D+01  0.229691D+01  0.316847D+00
      2  -0.222099D+00  0.500180D+00  0.302106D+00  0.316847D+00  0.906472D+00
      3   0.227553D+01  0.302106D+00 -0.311340D+01  0.249554D+01  0.951396D+00
                66            67            68            69            70 
      1   0.249554D+01  0.180719D+00  0.121870D+01  0.791200D+00  0.334622D+01
      2   0.951396D+00  0.121870D+01  0.151229D+01  0.138298D+01  0.106969D+01
      3   0.240167D+01  0.791200D+00  0.138298D+01  0.126740D+01  0.316488D+01
                71            72            73            74            75 
      1   0.106969D+01  0.316488D+01  0.462984D+00 -0.678501D+00  0.723298D+00
      2   0.169263D+01  0.197788D+01 -0.678501D+00 -0.376473D+00 -0.126629D+00
      3   0.197788D+01  0.770250D+01  0.723298D+00 -0.126629D+00 -0.338147D+00
                76            77            78            79            80 
      1  -0.170434D+01 -0.446402D+00 -0.710780D+00  0.459953D+00 -0.132474D+00
      2  -0.446402D+00 -0.364638D+01  0.284201D+01 -0.132474D+00  0.190024D+01
      3  -0.710780D+00  0.284201D+01 -0.446195D+01 -0.333010D+00 -0.234113D+01
                81            82            83            84            85 
      1  -0.333010D+00 -0.278797D+01  0.151869D+01  0.152283D+01  0.221810D+01
      2  -0.234113D+01  0.151869D+01 -0.150295D+01 -0.149095D+01 -0.149821D+01
      3   0.420777D+01  0.152283D+01 -0.149095D+01 -0.278870D+01 -0.127801D+01
                86            87            88            89            90 
      1  -0.149821D+01 -0.127801D+01  0.100251D+01 -0.102376D+01 -0.217910D+01
      2   0.328841D+01  0.278273D+01 -0.102376D+01  0.153837D+01  0.168309D+01
      3   0.278273D+01  0.261289D+01 -0.217910D+01  0.168309D+01  0.329709D+01
                91            92            93            94            95 
      1   0.666296D+00  0.145013D+01  0.790898D-01  0.348362D+01 -0.895548D+00
      2   0.145013D+01 -0.308967D+00 -0.334853D+00 -0.895548D+00  0.450991D+01
      3   0.790898D-01 -0.334853D+00  0.296986D+00 -0.134015D+01 -0.517873D+00
                96            97            98            99           100 
      1  -0.134015D+01 -0.422996D+00 -0.486207D+00  0.649164D+00 -0.236671D+01
      2  -0.517873D+00 -0.486207D+00 -0.689162D+00  0.590133D+00 -0.344415D+00
      3   0.140818D+01  0.649164D+00  0.590133D+00 -0.137596D+01 -0.174795D+01
               101           102           103           104           105 
      1  -0.344415D+00 -0.174795D+01 -0.409104D+00 -0.110731D+01  0.103439D+00
      2  -0.209402D+01  0.284548D+00 -0.110731D+01  0.324450D+00 -0.446048D+00
      3   0.284548D+00 -0.139748D+01  0.103439D+00 -0.446048D+00  0.309526D+00
               106           107           108           109           110 
      1  -0.332812D+01 -0.402824D+00 -0.116278D+01  0.259174D+00  0.680622D+00
      2  -0.402824D+00 -0.179975D+01  0.810380D+00  0.680622D+00 -0.123371D+01
      3  -0.116278D+01  0.810380D+00 -0.269327D+01 -0.734036D-01 -0.122611D+00
               111           112           113           114           115 
      1  -0.734036D-01  0.141298D+01 -0.944865D+00 -0.233666D+00  0.562893D+00
      2  -0.122611D+00 -0.944865D+00  0.843641D+01  0.205531D+01 -0.795028D-01
      3   0.282135D-01 -0.233666D+00  0.205531D+01  0.157709D+01 -0.116888D+00
               116           117           118           119           120 
      1  -0.795028D-01 -0.116888D+00  0.206294D+01 -0.183887D+01 -0.378921D+00
      2   0.382120D+01  0.185887D+01 -0.183887D+01  0.275351D+01  0.807434D+00
      3   0.185887D+01  0.141073D+01 -0.378921D+00  0.807434D+00  0.968293D+00
               121           122           123           124           125 
      1  -0.286371D+01  0.160797D+01  0.712238D+00 -0.569702D-01  0.448378D+00
      2   0.160797D+01 -0.587593D+01 -0.269778D+01  0.448378D+00 -0.268284D+01
      3   0.712238D+00 -0.269778D+01 -0.230663D+01  0.413071D+00 -0.142765D+01
               126 
      1   0.413071D+00
      2  -0.142765D+01
      3  -0.170442D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.314222D+01  0.659500D+00  0.509826D+01 -0.201857D+01 -0.169085D+01
      2   0.511250D+01  0.161931D+01 -0.450822D+01  0.154113D+01  0.291304D+01
      3  -0.251135D+01  0.661779D+00  0.175535D+01  0.819831D+01  0.462375D+01
                 6             7             8             9            10 
      1  -0.102819D+02  0.432036D+01 -0.802926D+00  0.478502D+01 -0.343672D+01
      2  -0.843456D+01 -0.146043D+02 -0.576809D+01 -0.115809D+02  0.108472D+02
      3  -0.284461D+01  0.327959D+01 -0.681061D+00  0.239033D+01  0.388689D+01
                11            12            13            14            15 
      1   0.151352D+01 -0.346450D+01 -0.153761D+01 -0.671499D+01 -0.117084D+02
      2   0.614063D+01  0.225326D+02  0.649985D+01 -0.129196D+01 -0.456491D+00
      3  -0.193360D+02 -0.259827D+01 -0.679237D+00  0.104579D+02  0.304448D+01
                16            17            18            19            20 
      1   0.299276D-01  0.564021D+01 -0.118831D+01  0.475548D+01 -0.284131D+00
      2   0.181267D+01 -0.522478D+00  0.117156D+02 -0.590072D+01 -0.455658D+01
      3  -0.370718D+01  0.354630D+01  0.106520D+01 -0.107507D+01 -0.285068D+01
                21            22            23            24            25 
      1  -0.724594D+00 -0.328494D+00 -0.625786D+00  0.155414D+01  0.526150D+00
      2   0.163347D+01 -0.684465D+01  0.196860D+00 -0.116253D+01 -0.908541D+00
      3  -0.905565D+00  0.466712D+01  0.350398D+01  0.481246D+00  0.866839D+00
                26            27            28            29            30 
      1   0.688145D+01 -0.198270D+01 -0.535572D+01 -0.304772D+01 -0.410098D+01
      2  -0.130616D+01  0.113429D+01  0.302105D+01 -0.496402D+00  0.772906D+01
      3  -0.169620D+01 -0.934553D+00  0.547420D+01 -0.502502D+01  0.436253D+01
                31            32            33            34            35 
      1  -0.118975D+01  0.108256D+02 -0.333026D+01 -0.567118D+01  0.462628D+01
      2   0.199936D+01 -0.197448D+01  0.568990D+00  0.617785D+00  0.202005D+01
      3   0.401923D+01  0.350824D+01  0.208014D+01  0.522219D+01  0.571068D+01
                36            37            38            39            40 
      1   0.139665D+01 -0.154544D+01  0.311738D+01  0.931413D+00  0.398985D+01
      2  -0.100308D+01 -0.127993D+02  0.428664D+01 -0.244916D-01 -0.508155D+00
      3   0.376916D+01  0.707495D+01 -0.685195D+01 -0.968392D+00 -0.815118D+01
                41            42            43            44            45 
      1   0.132753D+01  0.518130D+01 -0.293359D+01  0.700153D+01 -0.227524D+01
      2   0.381340D+00  0.264838D+01 -0.124353D+02  0.407474D+01  0.919128D+01
      3  -0.962914D+01 -0.149323D+01  0.187407D+01 -0.241383D+01  0.171986D+00
                46            47            48            49            50 
      1   0.891200D+00 -0.255009D-01  0.386339D+00  0.533148D+00 -0.216590D+01
      2   0.303222D+01 -0.215880D+01  0.270679D+01  0.278887D+01  0.512663D+00
      3   0.419341D+01 -0.790235D+00  0.755379D+00  0.136518D+02  0.174753D+02
                51            52            53            54            55 
      1  -0.109480D+02  0.516077D+00  0.931121D-01  0.213966D+01  0.513045D+00
      2  -0.451447D+01 -0.930920D+00 -0.567628D+01  0.794400D+00  0.148215D+01
      3  -0.207313D+01 -0.108328D+01 -0.115602D+01  0.488476D+01 -0.821139D+00
                56            57            58            59            60 
      1  -0.410498D+01 -0.131465D+01 -0.431710D+01  0.727920D+01 -0.248321D+01
      2  -0.213416D+01  0.662180D+01 -0.115674D+01  0.503390D+00 -0.178598D+01
      3  -0.924576D+01  0.889556D+00 -0.667115D+01  0.144551D+02  0.238218D+01
                61            62            63            64            65 
      1   0.150184D+01  0.287680D+01 -0.728612D-02 -0.103811D+01  0.131733D+01
      2   0.442724D+01 -0.135991D+01 -0.982079D+01 -0.163432D+01 -0.361491D+00
      3  -0.748966D+00  0.303244D+01 -0.148823D+01  0.144986D+01 -0.160717D+01
                66            67            68            69            70 
      1  -0.931597D+00  0.859057D+00  0.191476D+01 -0.554615D+00 -0.305325D+00
      2   0.581908D-01  0.350417D+00 -0.920193D+00  0.465718D+00 -0.462305D+01
      3   0.143482D+01  0.602836D+00 -0.102879D+01 -0.234172D+00  0.149107D+01
                71            72            73            74            75 
      1   0.233376D+01 -0.247599D+01 -0.781584D+00  0.683273D+00 -0.646672D+00
      2  -0.463485D+00  0.290631D+00 -0.325312D+01  0.828997D+00  0.223313D+00
      3  -0.805097D+00  0.932765D+00 -0.101019D+01 -0.821703D+00 -0.505275D+00
                76            77            78            79            80 
      1   0.281527D+00 -0.569012D+01  0.323660D+01 -0.183896D+00  0.512935D+01
      2   0.384593D+01 -0.287268D+01  0.610013D+01 -0.241794D+01  0.237252D+01
      3   0.168169D+01 -0.545519D+01  0.399568D+01 -0.701045D+00  0.203022D+01
                81            82            83            84            85 
      1  -0.332913D+01  0.184789D+01 -0.171994D+01 -0.964695D+00 -0.154523D+01
      2  -0.310167D+01  0.199539D+01 -0.580660D-01  0.282404D+01 -0.273363D+01
      3  -0.280878D+01  0.103794D+01 -0.327388D+01 -0.193912D+01  0.353241D+00
                86            87            88            89            90 
      1   0.414951D+01  0.161264D+01 -0.856325D+00  0.360727D+01  0.324082D+00
      2  -0.139413D+01 -0.188976D+01 -0.934467D+00 -0.838856D+00 -0.948420D+00
      3   0.425665D+01  0.343112D+01 -0.491141D+00  0.195760D+01  0.160414D+01
                91            92            93            94            95 
      1  -0.157929D+01  0.329441D+01 -0.951365D+00  0.417159D+01 -0.868995D+01
      2  -0.180916D+01  0.980257D+00 -0.524045D-01  0.103537D+01 -0.330574D+01
      3  -0.145074D+01  0.388667D+01  0.103162D+01  0.787188D+01 -0.179495D+02
                96            97            98            99           100 
      1   0.334652D-01 -0.695187D+00  0.168008D+01  0.831575D+00  0.608310D+01
      2   0.319449D+01 -0.114164D+01  0.155068D+01 -0.503653D+00 -0.401116D+01
      3  -0.236370D+00  0.876730D-01 -0.148016D+00 -0.183391D+00 -0.837628D+01
               101           102           103           104           105 
      1   0.135434D+01  0.535023D+01  0.120727D+01  0.145946D+01 -0.607118D+00
      2  -0.410801D+00 -0.286891D+01 -0.147504D+01 -0.212676D+01 -0.476732D+00
      3  -0.226843D+01 -0.472763D+01 -0.869797D+00 -0.222982D+01  0.662474D+00
               106           107           108           109           110 
      1   0.501133D+01  0.692057D+00  0.566479D+01  0.831252D+00  0.722383D+00
      2  -0.564013D+01 -0.989692D+00 -0.169300D+01  0.965048D-01  0.616065D-01
      3  -0.873363D+01 -0.398994D+00 -0.349541D+01 -0.198794D+00  0.118006D+01
               111           112           113           114           115 
      1   0.341406D+00  0.127279D+01 -0.635226D+01 -0.565110D+01  0.449001D+00
      2  -0.679608D-01 -0.282097D+00  0.158308D+01  0.821458D+00 -0.842148D+00
      3  -0.460323D+00  0.561385D+01 -0.661643D+01 -0.234853D+01  0.207566D+01
               116           117           118           119           120 
      1  -0.416692D+01 -0.393735D+01  0.195711D+01 -0.347987D+01  0.991401D+00
      2   0.142149D+01  0.891606D+00  0.372731D+01 -0.390254D+01 -0.180422D+01
      3  -0.266216D+01 -0.168373D+01 -0.924407D+01  0.757163D+01  0.202207D+01
               121           122           123           124           125 
      1  -0.128502D+01  0.513523D+01 -0.105668D+01 -0.138803D+00  0.317860D+01
      2  -0.506061D+01  0.779558D+01  0.492136D+01 -0.243278D+01  0.391677D+01
      3   0.976492D+01 -0.138033D+02 -0.692640D+01  0.568150D+00 -0.631585D+01
               126 
      1  -0.925203D-01
      2   0.471286D+01
      3  -0.422426D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.560697D+01 -0.934828D+00 -0.637438D+01 -0.269971D+01  0.554801D+01
      2  -0.104697D+01 -0.490119D+01  0.547733D+01 -0.218562D+01  0.169756D+01
      3   0.665394D+01  0.583602D+01  0.897057D+00  0.488533D+01 -0.724557D+01
      4   0.337248D+01 -0.591783D+01 -0.595827D+01 -0.295541D+01  0.261790D+01
      5  -0.329652D+01 -0.884482D+01 -0.175930D+02 -0.121952D+02  0.127905D+02
      6  -0.278776D+01  0.404023D+01  0.427565D+01  0.587220D+01  0.120959D+01
                 6             7             8             9            10 
      1  -0.824883D+01 -0.231568D+02 -0.972972D+01 -0.943783D+01  0.614492D+02
      2   0.486533D+01  0.958990D+01  0.646644D+00  0.572351D+01 -0.332646D+02
      3   0.338349D+01  0.135669D+02  0.908307D+01  0.371432D+01 -0.281846D+02
      4   0.918385D+01 -0.133706D+02 -0.671795D+00  0.142531D+00  0.609688D+01
      5  -0.354116D+01 -0.171229D+02 -0.803255D+00 -0.800543D+01  0.159900D+02
      6  -0.122899D+02  0.314184D+01 -0.102800D+02  0.127154D+01 -0.163191D+01
                11            12            13            14            15 
      1  -0.308147D+01  0.823355D+01 -0.149457D+02  0.148969D+02  0.614108D+01
      2   0.725688D+01 -0.670328D+01  0.146929D+02  0.426639D+01 -0.658012D+01
      3  -0.417541D+01 -0.153027D+01  0.252804D+00 -0.191633D+02  0.439038D+00
      4   0.294998D+02  0.170406D+01  0.334713D+02  0.292875D-01  0.156305D+01
      5  -0.159916D+00  0.352548D+02  0.142588D+01  0.274290D+01  0.244701D+01
      6   0.748471D+01  0.423224D+01  0.581675D+01 -0.985107D+01  0.115671D+02
                16            17            18            19            20 
      1   0.106351D+02  0.882679D+01  0.107554D+02 -0.171736D+01  0.619288D+01
      2  -0.107123D+02 -0.535673D+01 -0.259701D+02  0.960975D+01 -0.100354D+01
      3   0.772883D-01 -0.347006D+01  0.152147D+02 -0.789239D+01 -0.518934D+01
      4   0.622228D+01 -0.216606D+01  0.435625D+01  0.247500D+01  0.614130D+00
      5   0.402287D+02  0.717147D+01  0.291133D+02 -0.405226D+01 -0.141231D+01
      6   0.722778D+01  0.102897D+02 -0.648460D+00 -0.426513D+01 -0.586460D+01
                21            22            23            24            25 
      1   0.683080D+01  0.953146D+00 -0.112160D+01 -0.444122D+00  0.124620D+02
      2   0.276557D+01  0.184663D+01 -0.284983D+01  0.366906D+01 -0.568288D+00
      3  -0.959637D+01 -0.279978D+01  0.397143D+01 -0.322494D+01 -0.118938D+02
      4  -0.401540D+01 -0.620497D+01 -0.640972D+01  0.150652D+01  0.365945D+01
      5  -0.693211D+01  0.192485D+01 -0.693164D+00 -0.750665D+01 -0.406304D+01
      6  -0.706630D+01 -0.241162D+01  0.184289D+01 -0.246820D+01 -0.601417D+01
                26            27            28            29            30 
      1   0.136934D+01  0.781418D+01  0.730741D+01 -0.101258D+02 -0.532542D+00
      2   0.106075D+02  0.673562D+01 -0.663277D+00  0.146858D+02  0.671944D+00
      3  -0.119768D+02 -0.145498D+02 -0.664414D+01 -0.455997D+01 -0.139402D+00
      4   0.170180D+01 -0.588386D+01  0.205188D+01  0.532735D+01  0.537278D+01
      5  -0.401366D+01 -0.103617D+02 -0.221073D+01  0.546221D+00  0.531908D+01
      6  -0.247018D+01 -0.965405D+01  0.543090D+01 -0.315889D+00  0.722702D+01
                31            32            33            34            35 
      1  -0.548044D+01  0.932239D+00  0.966725D+01 -0.257885D+01  0.106003D+02
      2   0.980466D+01 -0.102467D+01 -0.145637D+02  0.367504D+01 -0.197386D+02
      3  -0.432423D+01  0.924294D-01  0.489648D+01 -0.109619D+01  0.913833D+01
      4   0.911887D+01  0.111536D+02 -0.380210D+01  0.523190D+01 -0.450310D+01
      5  -0.546581D+00 -0.266938D+01  0.275650D+01  0.487524D+01  0.138200D+01
      6  -0.152068D+01 -0.178901D+02  0.453198D+01  0.593077D+01  0.147364D+01
                36            37            38            39            40 
      1   0.627696D+00 -0.490770D+01 -0.528075D+01  0.108275D+01 -0.189972D+01
      2  -0.309763D+01 -0.249074D+00  0.240583D+01 -0.756747D+01  0.314518D+01
      3   0.246994D+01  0.515677D+01  0.287492D+01  0.648472D+01 -0.124546D+01
      4   0.634832D+01 -0.443568D+01  0.130044D+01  0.205323D+01 -0.873443D+01
      5  -0.446843D+01  0.743100D+01  0.237837D+01 -0.251655D+01  0.424836D+01
      6  -0.300188D+01  0.317964D+00  0.394305D-01  0.647436D+00 -0.162489D+01
                41            42            43            44            45 
      1   0.167056D+02 -0.218001D+01  0.114487D+02  0.207372D+01  0.107264D+00
      2  -0.271929D+02  0.737566D-01 -0.931704D+01  0.268321D+01 -0.159948D+01
      3   0.104873D+02  0.210626D+01 -0.213164D+01 -0.475693D+01  0.149222D+01
      4   0.176653D+02 -0.515717D+01  0.767648D+01 -0.230940D+01  0.217618D+01
      5  -0.824276D+01  0.421858D+01 -0.279867D+00  0.184307D+01  0.887701D+01
      6   0.694064D+01 -0.923691D+01  0.297077D+01  0.311431D+00  0.237781D+01
                46            47            48            49            50 
      1   0.398927D+01 -0.675395D+01  0.113776D+01 -0.607940D+01 -0.293396D+02
      2   0.354938D+01  0.277235D+01  0.137605D+00  0.257824D+00  0.526527D+02
      3  -0.753865D+01  0.398160D+01 -0.127537D+01  0.582158D+01 -0.233131D+02
      4  -0.890515D+01  0.144257D+02 -0.334632D+01  0.175445D+02 -0.347967D+02
      5   0.386443D+01 -0.343946D+01  0.565426D+01 -0.221857D+01  0.109439D+02
      6  -0.219405D+01  0.159030D+01 -0.205835D+01  0.320322D+01 -0.112305D+02
                51            52            53            54            55 
      1   0.653088D+01  0.953267D+00  0.356406D+01 -0.765547D+01  0.415092D+02
      2  -0.587150D+01  0.978768D+00 -0.443177D+01  0.474532D+01 -0.263315D+02
      3  -0.659374D+00 -0.193203D+01  0.867710D+00  0.291014D+01 -0.151777D+02
      4   0.678604D+01 -0.379282D+01  0.466936D+01 -0.902547D+01  0.304884D+01
      5  -0.940762D+01  0.480385D+01 -0.989243D+01  0.650341D+01 -0.160795D+02
      6   0.156051D+02 -0.298952D+01  0.152455D+02 -0.661947D+01  0.927178D+00
                56            57            58            59            60 
      1   0.290210D+01 -0.864609D+01 -0.732789D+01  0.852832D+01  0.250138D+01
      2  -0.155975D+00  0.101660D+02  0.658953D+01 -0.449684D+01 -0.250344D+01
      3  -0.274613D+01 -0.151988D+01  0.738359D+00 -0.403148D+01  0.206663D-02
      4   0.970238D+01 -0.454547D+00  0.134746D+02 -0.901521D+01 -0.300735D+01
      5  -0.334454D+00  0.152714D+02  0.372140D+01 -0.397253D+01 -0.324624D+01
      6  -0.117817D+01  0.485832D+00 -0.249539D+01  0.301309D+01  0.632222D+01
                61            62            63            64            65 
      1  -0.103002D+02 -0.141519D+01  0.319721D+01  0.277016D+01 -0.144215D+01
      2   0.100652D+02  0.221545D+00 -0.139033D+02 -0.703710D+01  0.970094D-01
      3   0.235003D+00  0.119365D+01  0.107061D+02  0.426694D+01  0.134514D+01
      4  -0.306697D+01 -0.137395D+01  0.601058D+00  0.411942D+01  0.558978D+01
      5   0.162969D+02  0.165903D+01 -0.197951D+02  0.971497D+01  0.366566D+01
      6  -0.110262D+01  0.418957D+01  0.136469D+01  0.511187D+01  0.419205D+01
                66            67            68            69            70 
      1  -0.202594D+01 -0.110581D+01 -0.456738D+01 -0.370188D+01 -0.460241D+01
      2  -0.586913D+01  0.125026D+00  0.147720D+01  0.882212D+00 -0.451871D+01
      3   0.789507D+01  0.980789D+00  0.309018D+01  0.281967D+01  0.912112D+01
      4   0.431659D+01  0.496852D+01  0.340948D+01  0.340183D+01  0.279632D+01
      5   0.125314D+02  0.248956D+01  0.334825D+01  0.345743D+01  0.105707D+02
      6   0.553837D+01  0.435436D+01  0.543536D+01  0.912362D+01  0.587172D+01
                71            72            73            74            75 
      1  -0.516934D+01 -0.160996D+02  0.266101D+00  0.164626D+01 -0.215146D+01
      2  -0.149984D+01 -0.145831D+02 -0.642737D+00  0.335879D+00  0.467706D+00
      3   0.666917D+01  0.306826D+02  0.376636D+00 -0.198214D+01  0.168376D+01
      4   0.354544D+01  0.555874D+01  0.111723D+01  0.325648D+01 -0.145317D+01
      5   0.411221D+01  0.172516D+02 -0.112110D+01 -0.161291D+01  0.578295D+01
      6   0.869855D+01  0.158795D+02 -0.296704D+01  0.181767D-01 -0.387634D+00
                76            77            78            79            80 
      1   0.432495D+01 -0.773463D+01  0.117890D+02 -0.614728D-01  0.693930D+01
      2  -0.269570D+01  0.196954D+01 -0.186778D+00  0.573855D+00  0.157822D+01
      3  -0.162925D+01  0.576509D+01 -0.116022D+02 -0.512382D+00 -0.851752D+01
      4   0.318347D+01  0.592270D+01 -0.448680D+01 -0.167054D+00 -0.165903D+01
      5  -0.885416D-01 -0.733933D+01  0.109957D+02  0.463180D+01  0.459739D+01
      6  -0.217123D+00 -0.130060D+02  0.140289D+02 -0.854339D+00  0.107508D+02
                81            82            83            84            85 
      1  -0.119477D+02  0.752438D+01 -0.227238D+01 -0.146531D+01 -0.208138D+01
      2  -0.652532D+01 -0.592268D+01  0.231746D+01  0.518563D+01  0.204959D+01
      3   0.184730D+02 -0.160171D+01 -0.450807D-01 -0.372032D+01  0.317841D-01
      4   0.213215D+01 -0.784682D+01  0.851533D+01  0.733376D+01  0.834830D+01
      5  -0.864022D+01 -0.116380D+02  0.872204D+01  0.151091D+02  0.878947D+01
      6  -0.124322D+02  0.568071D+01 -0.431955D+01 -0.439284D+01 -0.583279D+01
                86            87            88            89            90 
      1  -0.421452D+01 -0.333789D+01  0.124994D+01 -0.186077D+01 -0.435193D+01
      2   0.325138D+01 -0.151436D+01  0.371227D+01 -0.204503D+01 -0.754450D+01
      3   0.963145D+00  0.485225D+01 -0.496221D+01  0.390580D+01  0.118964D+02
      4  -0.126456D+02 -0.997683D+01  0.502634D+01 -0.489763D+01 -0.742333D+01
      5  -0.117916D+02 -0.113023D+02  0.116272D+02 -0.785807D+01 -0.142403D+02
      6   0.110864D+02  0.112234D+02 -0.416145D+01  0.885798D+01  0.907967D+01
                91            92            93            94            95 
      1  -0.170428D+01  0.374151D+01  0.118606D+00  0.143152D+02 -0.478693D+01
      2   0.354169D+01 -0.153866D+01 -0.137767D+01 -0.106453D+02  0.497102D+01
      3  -0.183741D+01 -0.220285D+01  0.125906D+01 -0.366992D+01 -0.184088D+00
      4   0.685782D+01  0.100816D+01 -0.156810D+01  0.121460D+01  0.149431D+02
      5   0.853933D+00 -0.235108D+01 -0.291273D+00 -0.737634D+01 -0.135147D+01
      6  -0.143012D+01 -0.454795D+00  0.221173D+01 -0.165905D+01 -0.488893D+01
                96            97            98            99           100 
      1  -0.335240D+01  0.147036D+01  0.268682D+00 -0.105313D+01  0.437146D+00
      2   0.407738D+01 -0.642577D+00  0.432285D+00 -0.123012D+01 -0.210000D+01
      3  -0.724985D+00 -0.827779D+00 -0.700967D+00  0.228325D+01  0.166285D+01
      4  -0.350011D+01 -0.218496D+01 -0.262467D+01  0.297733D+01 -0.544396D+01
      5   0.714158D+01  0.285709D+01  0.263770D+01 -0.307226D+01  0.254734D+01
      6   0.148573D+01  0.173483D+01  0.267792D+01 -0.319787D+01 -0.547696D+01
               101           102           103           104           105 
      1   0.607355D+01 -0.516071D+00  0.184956D+01 -0.420930D+00  0.147793D+01
      2  -0.917046D+01  0.159313D+00 -0.362202D+01  0.190865D+01 -0.155427D+01
      3   0.309691D+01  0.356758D+00  0.177246D+01 -0.148772D+01  0.763369D-01
      4   0.303403D+01 -0.433129D+01  0.251105D+01 -0.285385D+01  0.128624D+01
      5  -0.150379D+00  0.101124D+01  0.110320D+00  0.111321D+01 -0.125411D+01
      6   0.224541D+01 -0.722568D+01  0.193956D+01 -0.160229D+01  0.220251D+01
               106           107           108           109           110 
      1  -0.542865D+00  0.470539D+01 -0.449310D+01 -0.642843D+00  0.394913D+01
      2  -0.195673D+01 -0.597985D+01 -0.523635D+00  0.203605D+01 -0.727339D+01
      3   0.249960D+01  0.127445D+01  0.501673D+01 -0.139320D+01  0.332426D+01
      4  -0.790630D+01  0.116733D+01 -0.448622D+01  0.339465D-01  0.486609D+01
      5   0.253422D+01 -0.814669D+00  0.228751D+01 -0.553732D+00  0.106876D+01
      6  -0.517860D+01  0.381826D+01 -0.942737D+01  0.587412D+00 -0.134346D+01
               111           112           113           114           115 
      1   0.234043D+00  0.249975D+01 -0.264790D+02 -0.700123D+01  0.274097D+00
      2  -0.129705D+00 -0.462295D+01  0.457831D+02  0.112691D+02 -0.433121D+00
      3  -0.104337D+00  0.212320D+01 -0.193040D+02 -0.426784D+01  0.159023D+00
      4   0.882532D+00  0.492787D+01 -0.540992D+00 -0.320568D+00  0.130332D+01
      5   0.171367D+01 -0.272540D+00  0.123858D+01  0.719802D+00  0.146074D+01
      6  -0.614494D+00 -0.150301D+01  0.152808D+02  0.904372D+01 -0.527690D+00
               116           117           118           119           120 
      1  -0.122983D+02 -0.691329D+01 -0.383151D+01  0.956640D+01  0.381865D+01
      2   0.187063D+02  0.777802D+01  0.509996D+01 -0.791821D+01 -0.325599D+01
      3  -0.640802D+01 -0.864728D+00 -0.126845D+01 -0.164819D+01 -0.562659D+00
      4   0.892010D+00  0.394152D+00  0.593491D+00 -0.366540D+01 -0.833756D+00
      5   0.106779D+01  0.682343D+00 -0.164158D+01  0.162637D+01 -0.284284D+00
      6   0.134006D+02  0.853387D+01  0.269692D+01 -0.613384D+01 -0.287299D+01
               121           122           123           124           125 
      1   0.155872D+02 -0.196507D+02 -0.964251D+01  0.287706D+01 -0.767565D+01
      2  -0.105593D+02  0.209953D+02  0.754015D+01 -0.318428D+00  0.437476D+01
      3  -0.502791D+01 -0.134461D+01  0.210236D+01 -0.255863D+01  0.330088D+01
      4  -0.736642D+00  0.136560D+02  0.633165D+01 -0.142740D+01  0.822969D+01
      5  -0.120738D-01  0.388290D+01  0.452146D+01  0.171095D+01  0.204682D+01
      6  -0.411327D+01  0.133621D+02  0.889154D+01 -0.291396D+01  0.105926D+02
               126 
      1  -0.723687D+01
      2   0.330759D+01
      3   0.392927D+01
      4   0.213217D+01
      5   0.367654D+01
      6   0.617627D+01
 Leave Link  716 at Thu Aug 12 21:15:25 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.801316D+02  0.313538D+01 -0.191730D+00
      2   0.313538D+01  0.775564D+02 -0.297920D+00
      3  -0.191730D+00 -0.297920D+00  0.700307D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.553622D+00 -0.156852D+01 -0.379082D+01
      2  -0.177057D+02 -0.797124D+01 -0.310824D+02
      3   0.136317D+02  0.104206D+02  0.734175D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.660748D+02 -0.204887D+02 -0.362615D+02
      2   0.337223D+02  0.151657D+02  0.115394D+02
      3   0.323525D+02  0.532296D+01  0.247221D+02
      4  -0.132495D+01 -0.140727D+02 -0.128322D+02
      5  -0.240380D+02 -0.148570D+02 -0.439937D+02
      6  -0.258678D+01  0.860254D+01  0.134611D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.592722D+00 -0.122335D+01  0.241852D+01 -0.111836D+01  0.121596D+01
      2  -0.122335D+01  0.117751D+01  0.269632D+01  0.121596D+01  0.213800D+00
      3   0.241852D+01  0.269632D+01  0.483293D+01  0.273422D+01 -0.364491D+01
                 6             7             8             9            10 
      1   0.273422D+01  0.509545D+01  0.340754D+01  0.474373D+01 -0.967193D+01
      2  -0.364491D+01  0.340754D+01 -0.117836D+01  0.170112D+01  0.397383D+00
      3   0.287182D+01  0.474373D+01  0.170112D+01  0.290020D+01 -0.327267D+01
                11            12            13            14            15 
      1   0.397383D+00 -0.327267D+01  0.235700D+01 -0.461916D+01 -0.949955D+00
      2  -0.454488D+01 -0.823761D+00 -0.461916D+01  0.265071D+01  0.208011D+00
      3  -0.823761D+00 -0.491493D+01 -0.949955D+00  0.208011D+00  0.380194D+00
                16            17            18            19            20 
      1  -0.440565D+01 -0.188704D+01 -0.606778D+01  0.451523D+00  0.251465D+01
      2  -0.188704D+01  0.517973D+00 -0.876435D+00  0.251465D+01 -0.117909D+01
      3  -0.606778D+01 -0.876435D+00 -0.771340D+01 -0.185207D+01 -0.211356D+01
                21            22            23            24            25 
      1  -0.185207D+01  0.202527D+01 -0.187605D+01 -0.129998D+01 -0.304645D+01
      2  -0.211356D+01 -0.187605D+01 -0.327596D+00  0.160958D+01 -0.208250D+01
      3  -0.230160D+01 -0.129998D+01  0.160958D+01 -0.770718D+00 -0.366794D+01
                26            27            28            29            30 
      1  -0.208250D+01 -0.366794D+01  0.197880D+01  0.103767D+01  0.123652D+01
      2   0.532761D+00 -0.190342D+01  0.103767D+01  0.327877D+01  0.125678D+00
      3  -0.190342D+01 -0.468724D+01  0.123652D+01  0.125678D+00  0.146911D+01
                31            32            33            34            35 
      1   0.667472D+00  0.275487D+01 -0.167167D+00  0.212764D+01  0.590550D+00
      2   0.275487D+01 -0.271518D-01 -0.318080D+01  0.590550D+00 -0.315268D+01
      3  -0.167167D+00 -0.318080D+01  0.414081D-01  0.202075D+01  0.233642D+00
                36            37            38            39            40 
      1   0.202075D+01  0.122036D+01 -0.139800D+01  0.607045D+00 -0.831275D+00
      2   0.233642D+00 -0.139800D+01  0.180685D+01  0.785264D+00  0.836866D+00
      3  -0.546935D-01  0.607045D+00  0.785264D+00  0.957309D+00  0.860769D+00
                41            42            43            44            45 
      1   0.836866D+00  0.860769D+00 -0.834236D+00  0.131311D+01  0.896264D-01
      2   0.426170D+01 -0.221945D+01  0.131311D+01 -0.271901D+01  0.268122D+00
      3  -0.221945D+01 -0.358518D-01  0.896264D-01  0.268122D+00 -0.215324D+00
                46            47            48            49            50 
      1  -0.669159D+00 -0.273551D+01  0.620245D+00 -0.331627D+01  0.839391D+00
      2  -0.273551D+01  0.383628D+00 -0.497096D+00  0.839391D+00 -0.120839D+02
      3   0.620245D+00 -0.497096D+00 -0.260414D+00 -0.552379D-01  0.248868D+01
                51            52            53            54            55 
      1  -0.552379D-01  0.116609D+01 -0.512855D+00  0.170748D+00  0.550405D+01
      2   0.248868D+01 -0.512855D+00  0.171845D+01 -0.287672D+01  0.302651D+00
      3  -0.230981D+01  0.170748D+00 -0.287672D+01  0.203942D+01 -0.237808D+01
                56            57            58            59            60 
      1   0.302651D+00 -0.237808D+01 -0.210210D+01  0.291379D+01  0.833071D+00
      2   0.933353D+00 -0.141177D+00  0.291379D+01 -0.323672D+01 -0.662435D+00
      3  -0.141177D+00  0.104678D+01  0.833071D+00 -0.662435D+00 -0.583547D+00
                61            62            63            64            65 
      1  -0.166633D+01 -0.222099D+00  0.227553D+01  0.229691D+01  0.316847D+00
      2  -0.222099D+00  0.500180D+00  0.302106D+00  0.316847D+00  0.906472D+00
      3   0.227553D+01  0.302106D+00 -0.311340D+01  0.249554D+01  0.951396D+00
                66            67            68            69            70 
      1   0.249554D+01  0.180719D+00  0.121870D+01  0.791200D+00  0.334622D+01
      2   0.951396D+00  0.121870D+01  0.151229D+01  0.138298D+01  0.106969D+01
      3   0.240167D+01  0.791200D+00  0.138298D+01  0.126740D+01  0.316488D+01
                71            72            73            74            75 
      1   0.106969D+01  0.316488D+01  0.462984D+00 -0.678501D+00  0.723298D+00
      2   0.169263D+01  0.197788D+01 -0.678501D+00 -0.376473D+00 -0.126629D+00
      3   0.197788D+01  0.770250D+01  0.723298D+00 -0.126629D+00 -0.338147D+00
                76            77            78            79            80 
      1  -0.170434D+01 -0.446402D+00 -0.710780D+00  0.459953D+00 -0.132474D+00
      2  -0.446402D+00 -0.364638D+01  0.284201D+01 -0.132474D+00  0.190024D+01
      3  -0.710780D+00  0.284201D+01 -0.446195D+01 -0.333010D+00 -0.234113D+01
                81            82            83            84            85 
      1  -0.333010D+00 -0.278797D+01  0.151869D+01  0.152283D+01  0.221810D+01
      2  -0.234113D+01  0.151869D+01 -0.150295D+01 -0.149095D+01 -0.149821D+01
      3   0.420777D+01  0.152283D+01 -0.149095D+01 -0.278870D+01 -0.127801D+01
                86            87            88            89            90 
      1  -0.149821D+01 -0.127801D+01  0.100251D+01 -0.102376D+01 -0.217910D+01
      2   0.328841D+01  0.278273D+01 -0.102376D+01  0.153837D+01  0.168309D+01
      3   0.278273D+01  0.261289D+01 -0.217910D+01  0.168309D+01  0.329709D+01
                91            92            93            94            95 
      1   0.666296D+00  0.145013D+01  0.790898D-01  0.348362D+01 -0.895548D+00
      2   0.145013D+01 -0.308967D+00 -0.334853D+00 -0.895548D+00  0.450991D+01
      3   0.790898D-01 -0.334853D+00  0.296986D+00 -0.134015D+01 -0.517873D+00
                96            97            98            99           100 
      1  -0.134015D+01 -0.422996D+00 -0.486207D+00  0.649164D+00 -0.236671D+01
      2  -0.517873D+00 -0.486207D+00 -0.689162D+00  0.590133D+00 -0.344415D+00
      3   0.140818D+01  0.649164D+00  0.590133D+00 -0.137596D+01 -0.174795D+01
               101           102           103           104           105 
      1  -0.344415D+00 -0.174795D+01 -0.409104D+00 -0.110731D+01  0.103439D+00
      2  -0.209402D+01  0.284548D+00 -0.110731D+01  0.324450D+00 -0.446048D+00
      3   0.284548D+00 -0.139748D+01  0.103439D+00 -0.446048D+00  0.309526D+00
               106           107           108           109           110 
      1  -0.332812D+01 -0.402824D+00 -0.116278D+01  0.259174D+00  0.680622D+00
      2  -0.402824D+00 -0.179975D+01  0.810380D+00  0.680622D+00 -0.123371D+01
      3  -0.116278D+01  0.810380D+00 -0.269327D+01 -0.734036D-01 -0.122611D+00
               111           112           113           114           115 
      1  -0.734036D-01  0.141298D+01 -0.944865D+00 -0.233666D+00  0.562893D+00
      2  -0.122611D+00 -0.944865D+00  0.843641D+01  0.205531D+01 -0.795028D-01
      3   0.282135D-01 -0.233666D+00  0.205531D+01  0.157709D+01 -0.116888D+00
               116           117           118           119           120 
      1  -0.795028D-01 -0.116888D+00  0.206294D+01 -0.183887D+01 -0.378921D+00
      2   0.382120D+01  0.185887D+01 -0.183887D+01  0.275351D+01  0.807434D+00
      3   0.185887D+01  0.141073D+01 -0.378921D+00  0.807434D+00  0.968293D+00
               121           122           123           124           125 
      1  -0.286371D+01  0.160797D+01  0.712238D+00 -0.569702D-01  0.448378D+00
      2   0.160797D+01 -0.587593D+01 -0.269778D+01  0.448378D+00 -0.268284D+01
      3   0.712238D+00 -0.269778D+01 -0.230663D+01  0.413071D+00 -0.142765D+01
               126 
      1   0.413071D+00
      2  -0.142765D+01
      3  -0.170442D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.314222D+01  0.659500D+00  0.509826D+01 -0.201857D+01 -0.169085D+01
      2   0.511250D+01  0.161931D+01 -0.450822D+01  0.154113D+01  0.291304D+01
      3  -0.251135D+01  0.661779D+00  0.175535D+01  0.819831D+01  0.462375D+01
                 6             7             8             9            10 
      1  -0.102819D+02  0.432036D+01 -0.802926D+00  0.478502D+01 -0.343672D+01
      2  -0.843456D+01 -0.146043D+02 -0.576809D+01 -0.115809D+02  0.108472D+02
      3  -0.284461D+01  0.327959D+01 -0.681061D+00  0.239033D+01  0.388689D+01
                11            12            13            14            15 
      1   0.151352D+01 -0.346450D+01 -0.153761D+01 -0.671499D+01 -0.117084D+02
      2   0.614063D+01  0.225326D+02  0.649985D+01 -0.129196D+01 -0.456491D+00
      3  -0.193360D+02 -0.259827D+01 -0.679237D+00  0.104579D+02  0.304448D+01
                16            17            18            19            20 
      1   0.299276D-01  0.564021D+01 -0.118831D+01  0.475548D+01 -0.284131D+00
      2   0.181267D+01 -0.522478D+00  0.117156D+02 -0.590072D+01 -0.455658D+01
      3  -0.370718D+01  0.354630D+01  0.106520D+01 -0.107507D+01 -0.285068D+01
                21            22            23            24            25 
      1  -0.724594D+00 -0.328494D+00 -0.625786D+00  0.155414D+01  0.526150D+00
      2   0.163347D+01 -0.684465D+01  0.196860D+00 -0.116253D+01 -0.908541D+00
      3  -0.905565D+00  0.466712D+01  0.350398D+01  0.481246D+00  0.866839D+00
                26            27            28            29            30 
      1   0.688145D+01 -0.198270D+01 -0.535572D+01 -0.304772D+01 -0.410098D+01
      2  -0.130616D+01  0.113429D+01  0.302105D+01 -0.496402D+00  0.772906D+01
      3  -0.169620D+01 -0.934553D+00  0.547420D+01 -0.502502D+01  0.436253D+01
                31            32            33            34            35 
      1  -0.118975D+01  0.108256D+02 -0.333026D+01 -0.567118D+01  0.462628D+01
      2   0.199936D+01 -0.197448D+01  0.568990D+00  0.617785D+00  0.202005D+01
      3   0.401923D+01  0.350824D+01  0.208014D+01  0.522219D+01  0.571068D+01
                36            37            38            39            40 
      1   0.139665D+01 -0.154544D+01  0.311738D+01  0.931413D+00  0.398985D+01
      2  -0.100308D+01 -0.127993D+02  0.428664D+01 -0.244916D-01 -0.508155D+00
      3   0.376916D+01  0.707495D+01 -0.685195D+01 -0.968392D+00 -0.815118D+01
                41            42            43            44            45 
      1   0.132753D+01  0.518130D+01 -0.293359D+01  0.700153D+01 -0.227524D+01
      2   0.381340D+00  0.264838D+01 -0.124353D+02  0.407474D+01  0.919128D+01
      3  -0.962914D+01 -0.149323D+01  0.187407D+01 -0.241383D+01  0.171986D+00
                46            47            48            49            50 
      1   0.891200D+00 -0.255009D-01  0.386339D+00  0.533148D+00 -0.216590D+01
      2   0.303222D+01 -0.215880D+01  0.270679D+01  0.278887D+01  0.512663D+00
      3   0.419341D+01 -0.790235D+00  0.755379D+00  0.136518D+02  0.174753D+02
                51            52            53            54            55 
      1  -0.109480D+02  0.516077D+00  0.931121D-01  0.213966D+01  0.513045D+00
      2  -0.451447D+01 -0.930920D+00 -0.567628D+01  0.794400D+00  0.148215D+01
      3  -0.207313D+01 -0.108328D+01 -0.115602D+01  0.488476D+01 -0.821139D+00
                56            57            58            59            60 
      1  -0.410498D+01 -0.131465D+01 -0.431710D+01  0.727920D+01 -0.248321D+01
      2  -0.213416D+01  0.662180D+01 -0.115674D+01  0.503390D+00 -0.178598D+01
      3  -0.924576D+01  0.889556D+00 -0.667115D+01  0.144551D+02  0.238218D+01
                61            62            63            64            65 
      1   0.150184D+01  0.287680D+01 -0.728612D-02 -0.103811D+01  0.131733D+01
      2   0.442724D+01 -0.135991D+01 -0.982079D+01 -0.163432D+01 -0.361491D+00
      3  -0.748966D+00  0.303244D+01 -0.148823D+01  0.144986D+01 -0.160717D+01
                66            67            68            69            70 
      1  -0.931597D+00  0.859057D+00  0.191476D+01 -0.554615D+00 -0.305325D+00
      2   0.581908D-01  0.350417D+00 -0.920193D+00  0.465718D+00 -0.462305D+01
      3   0.143482D+01  0.602836D+00 -0.102879D+01 -0.234172D+00  0.149107D+01
                71            72            73            74            75 
      1   0.233376D+01 -0.247599D+01 -0.781584D+00  0.683273D+00 -0.646672D+00
      2  -0.463485D+00  0.290631D+00 -0.325312D+01  0.828997D+00  0.223313D+00
      3  -0.805097D+00  0.932765D+00 -0.101019D+01 -0.821703D+00 -0.505275D+00
                76            77            78            79            80 
      1   0.281527D+00 -0.569012D+01  0.323660D+01 -0.183896D+00  0.512935D+01
      2   0.384593D+01 -0.287268D+01  0.610013D+01 -0.241794D+01  0.237252D+01
      3   0.168169D+01 -0.545519D+01  0.399568D+01 -0.701045D+00  0.203022D+01
                81            82            83            84            85 
      1  -0.332913D+01  0.184789D+01 -0.171994D+01 -0.964695D+00 -0.154523D+01
      2  -0.310167D+01  0.199539D+01 -0.580660D-01  0.282404D+01 -0.273363D+01
      3  -0.280878D+01  0.103794D+01 -0.327388D+01 -0.193912D+01  0.353241D+00
                86            87            88            89            90 
      1   0.414951D+01  0.161264D+01 -0.856325D+00  0.360727D+01  0.324082D+00
      2  -0.139413D+01 -0.188976D+01 -0.934467D+00 -0.838856D+00 -0.948420D+00
      3   0.425665D+01  0.343112D+01 -0.491141D+00  0.195760D+01  0.160414D+01
                91            92            93            94            95 
      1  -0.157929D+01  0.329441D+01 -0.951365D+00  0.417159D+01 -0.868995D+01
      2  -0.180916D+01  0.980257D+00 -0.524045D-01  0.103537D+01 -0.330574D+01
      3  -0.145074D+01  0.388667D+01  0.103162D+01  0.787188D+01 -0.179495D+02
                96            97            98            99           100 
      1   0.334652D-01 -0.695187D+00  0.168008D+01  0.831575D+00  0.608310D+01
      2   0.319449D+01 -0.114164D+01  0.155068D+01 -0.503653D+00 -0.401116D+01
      3  -0.236370D+00  0.876730D-01 -0.148016D+00 -0.183391D+00 -0.837628D+01
               101           102           103           104           105 
      1   0.135434D+01  0.535023D+01  0.120727D+01  0.145946D+01 -0.607118D+00
      2  -0.410801D+00 -0.286891D+01 -0.147504D+01 -0.212676D+01 -0.476732D+00
      3  -0.226843D+01 -0.472763D+01 -0.869797D+00 -0.222982D+01  0.662474D+00
               106           107           108           109           110 
      1   0.501133D+01  0.692057D+00  0.566479D+01  0.831252D+00  0.722383D+00
      2  -0.564013D+01 -0.989692D+00 -0.169300D+01  0.965048D-01  0.616065D-01
      3  -0.873363D+01 -0.398994D+00 -0.349541D+01 -0.198794D+00  0.118006D+01
               111           112           113           114           115 
      1   0.341406D+00  0.127279D+01 -0.635226D+01 -0.565110D+01  0.449001D+00
      2  -0.679608D-01 -0.282097D+00  0.158308D+01  0.821458D+00 -0.842148D+00
      3  -0.460323D+00  0.561385D+01 -0.661643D+01 -0.234853D+01  0.207566D+01
               116           117           118           119           120 
      1  -0.416692D+01 -0.393735D+01  0.195711D+01 -0.347987D+01  0.991401D+00
      2   0.142149D+01  0.891606D+00  0.372731D+01 -0.390254D+01 -0.180422D+01
      3  -0.266216D+01 -0.168373D+01 -0.924407D+01  0.757163D+01  0.202207D+01
               121           122           123           124           125 
      1  -0.128502D+01  0.513523D+01 -0.105668D+01 -0.138803D+00  0.317860D+01
      2  -0.506061D+01  0.779558D+01  0.492136D+01 -0.243278D+01  0.391677D+01
      3   0.976492D+01 -0.138033D+02 -0.692640D+01  0.568150D+00 -0.631585D+01
               126 
      1  -0.925203D-01
      2   0.471286D+01
      3  -0.422426D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.560697D+01 -0.934828D+00 -0.637438D+01 -0.269971D+01  0.554801D+01
      2  -0.104697D+01 -0.490119D+01  0.547733D+01 -0.218562D+01  0.169756D+01
      3   0.665394D+01  0.583602D+01  0.897057D+00  0.488533D+01 -0.724557D+01
      4   0.337248D+01 -0.591783D+01 -0.595827D+01 -0.295541D+01  0.261790D+01
      5  -0.329652D+01 -0.884482D+01 -0.175930D+02 -0.121952D+02  0.127905D+02
      6  -0.278776D+01  0.404023D+01  0.427565D+01  0.587220D+01  0.120959D+01
                 6             7             8             9            10 
      1  -0.824883D+01 -0.231568D+02 -0.972972D+01 -0.943783D+01  0.614492D+02
      2   0.486533D+01  0.958990D+01  0.646644D+00  0.572351D+01 -0.332646D+02
      3   0.338349D+01  0.135669D+02  0.908307D+01  0.371432D+01 -0.281846D+02
      4   0.918385D+01 -0.133706D+02 -0.671795D+00  0.142531D+00  0.609688D+01
      5  -0.354116D+01 -0.171229D+02 -0.803255D+00 -0.800543D+01  0.159900D+02
      6  -0.122899D+02  0.314184D+01 -0.102800D+02  0.127154D+01 -0.163191D+01
                11            12            13            14            15 
      1  -0.308147D+01  0.823355D+01 -0.149457D+02  0.148969D+02  0.614108D+01
      2   0.725688D+01 -0.670328D+01  0.146929D+02  0.426639D+01 -0.658012D+01
      3  -0.417541D+01 -0.153027D+01  0.252804D+00 -0.191633D+02  0.439038D+00
      4   0.294998D+02  0.170406D+01  0.334713D+02  0.292875D-01  0.156305D+01
      5  -0.159916D+00  0.352548D+02  0.142588D+01  0.274290D+01  0.244701D+01
      6   0.748471D+01  0.423224D+01  0.581675D+01 -0.985107D+01  0.115671D+02
                16            17            18            19            20 
      1   0.106351D+02  0.882679D+01  0.107554D+02 -0.171736D+01  0.619288D+01
      2  -0.107123D+02 -0.535673D+01 -0.259701D+02  0.960975D+01 -0.100354D+01
      3   0.772883D-01 -0.347006D+01  0.152147D+02 -0.789239D+01 -0.518934D+01
      4   0.622228D+01 -0.216606D+01  0.435625D+01  0.247500D+01  0.614130D+00
      5   0.402287D+02  0.717147D+01  0.291133D+02 -0.405226D+01 -0.141231D+01
      6   0.722778D+01  0.102897D+02 -0.648460D+00 -0.426513D+01 -0.586460D+01
                21            22            23            24            25 
      1   0.683080D+01  0.953146D+00 -0.112160D+01 -0.444122D+00  0.124620D+02
      2   0.276557D+01  0.184663D+01 -0.284983D+01  0.366906D+01 -0.568288D+00
      3  -0.959637D+01 -0.279978D+01  0.397143D+01 -0.322494D+01 -0.118938D+02
      4  -0.401540D+01 -0.620497D+01 -0.640972D+01  0.150652D+01  0.365945D+01
      5  -0.693211D+01  0.192485D+01 -0.693164D+00 -0.750665D+01 -0.406304D+01
      6  -0.706630D+01 -0.241162D+01  0.184289D+01 -0.246820D+01 -0.601417D+01
                26            27            28            29            30 
      1   0.136934D+01  0.781418D+01  0.730741D+01 -0.101258D+02 -0.532542D+00
      2   0.106075D+02  0.673562D+01 -0.663277D+00  0.146858D+02  0.671944D+00
      3  -0.119768D+02 -0.145498D+02 -0.664414D+01 -0.455997D+01 -0.139402D+00
      4   0.170180D+01 -0.588386D+01  0.205188D+01  0.532735D+01  0.537278D+01
      5  -0.401366D+01 -0.103617D+02 -0.221073D+01  0.546221D+00  0.531908D+01
      6  -0.247018D+01 -0.965405D+01  0.543090D+01 -0.315889D+00  0.722702D+01
                31            32            33            34            35 
      1  -0.548044D+01  0.932239D+00  0.966725D+01 -0.257885D+01  0.106003D+02
      2   0.980466D+01 -0.102467D+01 -0.145637D+02  0.367504D+01 -0.197386D+02
      3  -0.432423D+01  0.924294D-01  0.489648D+01 -0.109619D+01  0.913833D+01
      4   0.911887D+01  0.111536D+02 -0.380210D+01  0.523190D+01 -0.450310D+01
      5  -0.546581D+00 -0.266938D+01  0.275650D+01  0.487524D+01  0.138200D+01
      6  -0.152068D+01 -0.178901D+02  0.453198D+01  0.593077D+01  0.147364D+01
                36            37            38            39            40 
      1   0.627696D+00 -0.490770D+01 -0.528075D+01  0.108275D+01 -0.189972D+01
      2  -0.309763D+01 -0.249074D+00  0.240583D+01 -0.756747D+01  0.314518D+01
      3   0.246994D+01  0.515677D+01  0.287492D+01  0.648472D+01 -0.124546D+01
      4   0.634832D+01 -0.443568D+01  0.130044D+01  0.205323D+01 -0.873443D+01
      5  -0.446843D+01  0.743100D+01  0.237837D+01 -0.251655D+01  0.424836D+01
      6  -0.300188D+01  0.317964D+00  0.394305D-01  0.647436D+00 -0.162489D+01
                41            42            43            44            45 
      1   0.167056D+02 -0.218001D+01  0.114487D+02  0.207372D+01  0.107264D+00
      2  -0.271929D+02  0.737566D-01 -0.931704D+01  0.268321D+01 -0.159948D+01
      3   0.104873D+02  0.210626D+01 -0.213164D+01 -0.475693D+01  0.149222D+01
      4   0.176653D+02 -0.515717D+01  0.767648D+01 -0.230940D+01  0.217618D+01
      5  -0.824276D+01  0.421858D+01 -0.279867D+00  0.184307D+01  0.887701D+01
      6   0.694064D+01 -0.923691D+01  0.297077D+01  0.311431D+00  0.237781D+01
                46            47            48            49            50 
      1   0.398927D+01 -0.675395D+01  0.113776D+01 -0.607940D+01 -0.293396D+02
      2   0.354938D+01  0.277235D+01  0.137605D+00  0.257824D+00  0.526527D+02
      3  -0.753865D+01  0.398160D+01 -0.127537D+01  0.582158D+01 -0.233131D+02
      4  -0.890515D+01  0.144257D+02 -0.334632D+01  0.175445D+02 -0.347967D+02
      5   0.386443D+01 -0.343946D+01  0.565426D+01 -0.221857D+01  0.109439D+02
      6  -0.219405D+01  0.159030D+01 -0.205835D+01  0.320322D+01 -0.112305D+02
                51            52            53            54            55 
      1   0.653088D+01  0.953267D+00  0.356406D+01 -0.765547D+01  0.415092D+02
      2  -0.587150D+01  0.978768D+00 -0.443177D+01  0.474532D+01 -0.263315D+02
      3  -0.659374D+00 -0.193203D+01  0.867710D+00  0.291014D+01 -0.151777D+02
      4   0.678604D+01 -0.379282D+01  0.466936D+01 -0.902547D+01  0.304884D+01
      5  -0.940762D+01  0.480385D+01 -0.989243D+01  0.650341D+01 -0.160795D+02
      6   0.156051D+02 -0.298952D+01  0.152455D+02 -0.661947D+01  0.927178D+00
                56            57            58            59            60 
      1   0.290210D+01 -0.864609D+01 -0.732789D+01  0.852832D+01  0.250138D+01
      2  -0.155975D+00  0.101660D+02  0.658953D+01 -0.449684D+01 -0.250344D+01
      3  -0.274613D+01 -0.151988D+01  0.738359D+00 -0.403148D+01  0.206663D-02
      4   0.970238D+01 -0.454547D+00  0.134746D+02 -0.901521D+01 -0.300735D+01
      5  -0.334454D+00  0.152714D+02  0.372140D+01 -0.397253D+01 -0.324624D+01
      6  -0.117817D+01  0.485832D+00 -0.249539D+01  0.301309D+01  0.632222D+01
                61            62            63            64            65 
      1  -0.103002D+02 -0.141519D+01  0.319721D+01  0.277016D+01 -0.144215D+01
      2   0.100652D+02  0.221545D+00 -0.139033D+02 -0.703710D+01  0.970094D-01
      3   0.235003D+00  0.119365D+01  0.107061D+02  0.426694D+01  0.134514D+01
      4  -0.306697D+01 -0.137395D+01  0.601058D+00  0.411942D+01  0.558978D+01
      5   0.162969D+02  0.165903D+01 -0.197951D+02  0.971497D+01  0.366566D+01
      6  -0.110262D+01  0.418957D+01  0.136469D+01  0.511187D+01  0.419205D+01
                66            67            68            69            70 
      1  -0.202594D+01 -0.110581D+01 -0.456738D+01 -0.370188D+01 -0.460241D+01
      2  -0.586913D+01  0.125026D+00  0.147720D+01  0.882212D+00 -0.451871D+01
      3   0.789507D+01  0.980789D+00  0.309018D+01  0.281967D+01  0.912112D+01
      4   0.431659D+01  0.496852D+01  0.340948D+01  0.340183D+01  0.279632D+01
      5   0.125314D+02  0.248956D+01  0.334825D+01  0.345743D+01  0.105707D+02
      6   0.553837D+01  0.435436D+01  0.543536D+01  0.912362D+01  0.587172D+01
                71            72            73            74            75 
      1  -0.516934D+01 -0.160996D+02  0.266101D+00  0.164626D+01 -0.215146D+01
      2  -0.149984D+01 -0.145831D+02 -0.642737D+00  0.335879D+00  0.467706D+00
      3   0.666917D+01  0.306826D+02  0.376636D+00 -0.198214D+01  0.168376D+01
      4   0.354544D+01  0.555874D+01  0.111723D+01  0.325648D+01 -0.145317D+01
      5   0.411221D+01  0.172516D+02 -0.112110D+01 -0.161291D+01  0.578295D+01
      6   0.869855D+01  0.158795D+02 -0.296704D+01  0.181767D-01 -0.387634D+00
                76            77            78            79            80 
      1   0.432495D+01 -0.773463D+01  0.117890D+02 -0.614728D-01  0.693930D+01
      2  -0.269570D+01  0.196954D+01 -0.186778D+00  0.573855D+00  0.157822D+01
      3  -0.162925D+01  0.576509D+01 -0.116022D+02 -0.512382D+00 -0.851752D+01
      4   0.318347D+01  0.592270D+01 -0.448680D+01 -0.167054D+00 -0.165903D+01
      5  -0.885416D-01 -0.733933D+01  0.109957D+02  0.463180D+01  0.459739D+01
      6  -0.217123D+00 -0.130060D+02  0.140289D+02 -0.854339D+00  0.107508D+02
                81            82            83            84            85 
      1  -0.119477D+02  0.752438D+01 -0.227238D+01 -0.146531D+01 -0.208138D+01
      2  -0.652532D+01 -0.592268D+01  0.231746D+01  0.518563D+01  0.204959D+01
      3   0.184730D+02 -0.160171D+01 -0.450807D-01 -0.372032D+01  0.317841D-01
      4   0.213215D+01 -0.784682D+01  0.851533D+01  0.733376D+01  0.834830D+01
      5  -0.864022D+01 -0.116380D+02  0.872204D+01  0.151091D+02  0.878947D+01
      6  -0.124322D+02  0.568071D+01 -0.431955D+01 -0.439284D+01 -0.583279D+01
                86            87            88            89            90 
      1  -0.421452D+01 -0.333789D+01  0.124994D+01 -0.186077D+01 -0.435193D+01
      2   0.325138D+01 -0.151436D+01  0.371227D+01 -0.204503D+01 -0.754450D+01
      3   0.963145D+00  0.485225D+01 -0.496221D+01  0.390580D+01  0.118964D+02
      4  -0.126456D+02 -0.997683D+01  0.502634D+01 -0.489763D+01 -0.742333D+01
      5  -0.117916D+02 -0.113023D+02  0.116272D+02 -0.785807D+01 -0.142403D+02
      6   0.110864D+02  0.112234D+02 -0.416145D+01  0.885798D+01  0.907967D+01
                91            92            93            94            95 
      1  -0.170428D+01  0.374151D+01  0.118606D+00  0.143152D+02 -0.478693D+01
      2   0.354169D+01 -0.153866D+01 -0.137767D+01 -0.106453D+02  0.497102D+01
      3  -0.183741D+01 -0.220285D+01  0.125906D+01 -0.366992D+01 -0.184088D+00
      4   0.685782D+01  0.100816D+01 -0.156810D+01  0.121460D+01  0.149431D+02
      5   0.853933D+00 -0.235108D+01 -0.291273D+00 -0.737634D+01 -0.135147D+01
      6  -0.143012D+01 -0.454795D+00  0.221173D+01 -0.165905D+01 -0.488893D+01
                96            97            98            99           100 
      1  -0.335240D+01  0.147036D+01  0.268682D+00 -0.105313D+01  0.437146D+00
      2   0.407738D+01 -0.642577D+00  0.432285D+00 -0.123012D+01 -0.210000D+01
      3  -0.724985D+00 -0.827779D+00 -0.700967D+00  0.228325D+01  0.166285D+01
      4  -0.350011D+01 -0.218496D+01 -0.262467D+01  0.297733D+01 -0.544396D+01
      5   0.714158D+01  0.285709D+01  0.263770D+01 -0.307226D+01  0.254734D+01
      6   0.148573D+01  0.173483D+01  0.267792D+01 -0.319787D+01 -0.547696D+01
               101           102           103           104           105 
      1   0.607355D+01 -0.516071D+00  0.184956D+01 -0.420930D+00  0.147793D+01
      2  -0.917046D+01  0.159313D+00 -0.362202D+01  0.190865D+01 -0.155427D+01
      3   0.309691D+01  0.356758D+00  0.177246D+01 -0.148772D+01  0.763369D-01
      4   0.303403D+01 -0.433129D+01  0.251105D+01 -0.285385D+01  0.128624D+01
      5  -0.150379D+00  0.101124D+01  0.110320D+00  0.111321D+01 -0.125411D+01
      6   0.224541D+01 -0.722568D+01  0.193956D+01 -0.160229D+01  0.220251D+01
               106           107           108           109           110 
      1  -0.542865D+00  0.470539D+01 -0.449310D+01 -0.642843D+00  0.394913D+01
      2  -0.195673D+01 -0.597985D+01 -0.523635D+00  0.203605D+01 -0.727339D+01
      3   0.249960D+01  0.127445D+01  0.501673D+01 -0.139320D+01  0.332426D+01
      4  -0.790630D+01  0.116733D+01 -0.448622D+01  0.339465D-01  0.486609D+01
      5   0.253422D+01 -0.814669D+00  0.228751D+01 -0.553732D+00  0.106876D+01
      6  -0.517860D+01  0.381826D+01 -0.942737D+01  0.587412D+00 -0.134346D+01
               111           112           113           114           115 
      1   0.234043D+00  0.249975D+01 -0.264790D+02 -0.700123D+01  0.274097D+00
      2  -0.129705D+00 -0.462295D+01  0.457831D+02  0.112691D+02 -0.433121D+00
      3  -0.104337D+00  0.212320D+01 -0.193040D+02 -0.426784D+01  0.159023D+00
      4   0.882532D+00  0.492787D+01 -0.540992D+00 -0.320568D+00  0.130332D+01
      5   0.171367D+01 -0.272540D+00  0.123858D+01  0.719802D+00  0.146074D+01
      6  -0.614494D+00 -0.150301D+01  0.152808D+02  0.904372D+01 -0.527690D+00
               116           117           118           119           120 
      1  -0.122983D+02 -0.691329D+01 -0.383151D+01  0.956640D+01  0.381865D+01
      2   0.187063D+02  0.777802D+01  0.509996D+01 -0.791821D+01 -0.325599D+01
      3  -0.640802D+01 -0.864728D+00 -0.126845D+01 -0.164819D+01 -0.562659D+00
      4   0.892010D+00  0.394152D+00  0.593491D+00 -0.366540D+01 -0.833756D+00
      5   0.106779D+01  0.682343D+00 -0.164158D+01  0.162637D+01 -0.284284D+00
      6   0.134006D+02  0.853387D+01  0.269692D+01 -0.613384D+01 -0.287299D+01
               121           122           123           124           125 
      1   0.155872D+02 -0.196507D+02 -0.964251D+01  0.287706D+01 -0.767565D+01
      2  -0.105593D+02  0.209953D+02  0.754015D+01 -0.318428D+00  0.437476D+01
      3  -0.502791D+01 -0.134461D+01  0.210236D+01 -0.255863D+01  0.330088D+01
      4  -0.736642D+00  0.136560D+02  0.633165D+01 -0.142740D+01  0.822969D+01
      5  -0.120738D-01  0.388290D+01  0.452146D+01  0.171095D+01  0.204682D+01
      6  -0.411327D+01  0.133621D+02  0.889154D+01 -0.291396D+01  0.105926D+02
               126 
      1  -0.723687D+01
      2   0.330759D+01
      3   0.392927D+01
      4   0.213217D+01
      5   0.367654D+01
      6   0.617627D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180415D+01      0.458569D+01      0.152962D+02
   x         -0.547114D+00     -0.139063D+01     -0.463863D+01
   y          0.162828D+01      0.413868D+01      0.138051D+02
   z          0.551660D+00      0.140218D+01      0.467717D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.681954D+02      0.101055D+02      0.112439D+02
   aniso      0.930910D+01      0.137947D+01      0.153486D+01
   xx         0.716604D+02      0.106190D+02      0.118152D+02
   yx         0.243582D+01      0.360951D+00      0.401612D+00
   yy         0.701116D+02      0.103895D+02      0.115598D+02
   zx         0.618175D+00      0.916041D-01      0.101923D+00
   zy         0.503304D+00      0.745819D-01      0.829836D-01
   zz         0.628142D+02      0.930810D+01      0.103567D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.759063D+02      0.112481D+02      0.125153D+02
   aniso      0.106074D+02      0.157185D+01      0.174892D+01
   xx         0.801316D+02      0.118743D+02      0.132119D+02
   yx         0.313538D+01      0.464615D+00      0.516954D+00
   yy         0.775564D+02      0.114927D+02      0.127873D+02
   zx        -0.191730D+00     -0.284115D-01     -0.316120D-01
   zy        -0.297920D+00     -0.441472D-01     -0.491204D-01
   zz         0.700307D+02      0.103775D+02      0.115465D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.24641604         -2.03519886          1.24324173
    16         -3.93449348         -0.07327055          0.32594033
     6          1.27263411         -0.61969111          1.20752953
     7          1.38492540          1.66648138          2.75516855
     6          2.05435184          0.01528484         -1.52550917
     8          1.62225679         -1.35295206         -3.28555090
     8          3.30291008          2.19478524         -1.74161525
     1          2.73660394         -1.91549721          1.88735268
     1         -1.15485379         -3.67762515          0.01352977
     1         -1.66511488         -2.67009889          3.15755579
     1          3.28340613          2.94013493         -0.03665214
     1         -0.30897994          2.57143491          2.70138140
     1          1.81222594          1.28242030          4.57722152
     1         -3.33061289          0.07916722         -2.13585874

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180415D+01      0.458569D+01      0.152962D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.180415D+01      0.458569D+01      0.152962D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.681954D+02      0.101055D+02      0.112439D+02
   aniso      0.930910D+01      0.137947D+01      0.153486D+01
   xx         0.721405D+02      0.106901D+02      0.118944D+02
   yx         0.274072D+01      0.406133D+00      0.451884D+00
   yy         0.640441D+02      0.949035D+01      0.105594D+02
   zx         0.106433D+01      0.157717D+00      0.175484D+00
   zy         0.195503D+01      0.289706D+00      0.322341D+00
   zz         0.684016D+02      0.101361D+02      0.112779D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.759063D+02      0.112481D+02      0.125153D+02
   aniso      0.106074D+02      0.157185D+01      0.174892D+01
   xx         0.801654D+02      0.118793D+02      0.132175D+02
   yx         0.396672D+01      0.587807D+00      0.654024D+00
   yy         0.723089D+02      0.107151D+02      0.119221D+02
   zx         0.869887D+00      0.128904D+00      0.143425D+00
   zy         0.229222D+01      0.339671D+00      0.377935D+00
   zz         0.752445D+02      0.111501D+02      0.124061D+02

 ----------------------------------------------------------------------
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 LET US PLACE AT THE END OF EVERY CHAPTER.....THE
 TWO LETTERS USED BY THE ROMAN JUDGES WHEN THEY DID
 NOT UNDERSTAND A PLEADING.
 N. L. -NON LIQUET- IT IS NOT CLEAR.
                                              -- VOLTAIRE
 Job cpu time:       0 days  2 hours 52 minutes 22.5 seconds.
 Elapsed time:       0 days  0 hours 21 minutes 35.1 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:15:26 2021.
